data_2crh_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 2crh _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.859 0.361 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.9 p -59.65 -32.58 70.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 26' ' ' HIS . 16.5 m -54.38 -21.94 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.611 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 24.7 m-70 -75.23 159.5 31.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.5 mt -86.26 -32.01 21.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.611 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.1 p-90 -84.86 18.58 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -111.97 95.45 5.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.551 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -101.69 35.85 2.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 34.25 -151.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 88.55 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.362 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.509 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 29.2 ttp -112.54 140.04 47.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -78.18 149.1 33.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 36' ' ' ALA . 32.7 ttp180 -41.49 -61.37 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . -35.03 -58.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.67 -62.45 3.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.76 -33.91 50.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.708 0.289 . . . . 0.0 111.05 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.463 ' HA ' ' CG2' ' A' ' 72' ' ' VAL . 59.3 mt-10 -75.22 -27.09 59.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.7 t -94.37 -17.94 22.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.509 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 16.8 mt -81.36 -54.49 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.2 mt -78.14 -13.05 60.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.56 -47.7 57.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -87.15 -31.52 20.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -48.22 177.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -98.07 137.1 37.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.793 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -37.44 127.82 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.426 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 111.75 -20.3 22.54 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.4 m -65.23 104.52 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 111.128 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CD2' HD12 ' A' ' 118' ' ' LEU . 22.6 p90 -94.96 154.96 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.538 ' HB2' ' CD1' ' A' ' 122' ' ' PHE . 0.5 OUTLIER -153.21 129.68 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.0 t -99.93 128.68 51.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.0 ptt85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.37 136.44 21.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.059 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.472 HG13 ' CD1' ' A' ' 77' ' ' ILE . 59.3 mt -103.99 124.06 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 9.3 t -127.81 131.67 49.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.476 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -137.47 168.87 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -88.47 112.71 23.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.592 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 20.0 t80 -144.23 144.17 31.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.507 ' O ' HG23 ' A' ' 70' ' ' VAL . 7.3 t-20 51.32 32.68 8.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.572 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 63.97 24.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -143.41 137.58 28.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 39' ' ' GLU . 58.0 t -78.03 96.62 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 65' ' ' SER . 26.2 mmtt -82.84 157.66 23.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -133.28 148.02 51.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 109.565 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.9 mt -131.24 134.12 61.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.116 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -77.09 141.31 40.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.472 ' CD1' HG13 ' A' ' 64' ' ' ILE . 96.7 mt -112.87 115.59 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.4 mtm -93.91 139.52 30.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 p -116.96 132.25 56.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.85 123.43 12.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 64.31 25.01 13.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.01 -12.53 68.81 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.2 mt -83.3 154.45 24.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.807 0.337 . . . . 0.0 110.935 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -116.02 127.97 55.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -162.1 132.03 4.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.457 HD13 ' CD1' ' A' ' 107' ' ' LEU . 6.1 pt -72.71 -22.35 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.9 t -134.4 151.35 51.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -77.78 46.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -108.51 -44.66 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.569 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.8 tmtt? -156.65 128.11 7.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.9 156.76 17.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.569 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 3.1 m-85 -133.46 163.58 29.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 37.5 mmt-85 -49.96 -49.22 51.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.475 ' N ' ' OE1' ' A' ' 97' ' ' GLU . . . -157.47 179.95 32.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.461 ' N ' HD21 ' A' ' 95' ' ' LEU . 2.5 mm? -45.22 -62.56 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.1 m -34.84 -46.28 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 94' ' ' GLY . 25.4 mp0 -72.01 -57.15 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.543 HD23 ' CE1' ' A' ' 92' ' ' PHE . 1.7 tm? -47.97 -57.51 5.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.443 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 95.5 t -56.92 -49.53 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.412 ' HA ' ' CD ' ' A' ' 103' ' ' GLN . 4.4 mt-10 -51.24 -33.74 29.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.522 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 79.6 t80 -70.34 -51.79 27.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.518 ' CE2' HD22 ' A' ' 98' ' ' LEU . 10.2 m-85 -61.11 -25.29 66.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.412 ' CD ' ' HA ' ' A' ' 100' ' ' GLU . 74.9 mt-30 -56.02 -13.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -117.41 -22.82 8.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -119.25 131.62 55.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.472 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 4.6 t -59.17 154.84 15.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.457 ' CD1' HD13 ' A' ' 86' ' ' ILE . 1.7 mm? -79.3 -11.0 59.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -43.32 -33.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -45.05 -40.51 6.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.4 t -96.39 -33.64 11.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 114' ' ' LEU . 99.1 m-85 -133.67 82.2 1.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -39.88 -32.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.457 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 14.4 t -69.07 -41.01 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 111' ' ' PHE . 10.9 tp -92.32 91.0 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.97 73.92 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.592 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 11.8 t -129.99 -178.84 4.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 6.8 p -149.01 145.75 27.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.57 HD12 ' CD2' ' A' ' 50' ' ' PHE . 2.6 mm? -59.37 100.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.426 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 12.8 mt-30 -85.45 -72.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -141.54 151.86 61.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.678 0.751 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 162.97 40.04 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.65 2.233 . . . . 0.0 112.319 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.575 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 16.1 p90 -74.97 -37.74 61.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 13.8 mtmt -67.87 -23.97 65.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 123' ' ' LYS . 1.8 tt0 -33.68 126.77 0.44 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.138 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.534 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 73.3 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.823 0.344 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.3 t -62.28 -36.89 83.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.7 m -53.11 -22.9 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.142 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.534 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 39.3 m-70 -75.81 158.9 31.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.6 mt -86.77 -32.17 20.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 8.1 p-90 -84.99 20.09 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 23' ' ' LEU . 13.4 t80 -112.62 97.76 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.472 ' CB ' ' HE3' ' A' ' 33' ' ' MET . . . -104.69 33.24 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.91 -152.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 87.68 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.649 2.232 . . . . 0.0 112.358 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.473 ' HE2' ' CD1' ' A' ' 41' ' ' ILE . 31.6 ttp -111.83 145.63 39.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -74.09 168.53 19.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -63.76 -52.42 60.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.57 -46.07 38.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.61 -56.45 15.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.457 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' CB ' HD22 ' A' ' 51' ' ' LEU . . . -61.25 -38.22 85.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.72 0.295 . . . . 0.0 111.08 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.458 ' HA ' ' CG2' ' A' ' 72' ' ' VAL . 17.9 mt-10 -69.97 -24.32 63.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.7 m -95.48 -26.19 15.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CD1' ' HE2' ' A' ' 33' ' ' MET . 48.7 mt -73.87 -54.84 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.472 ' HA ' ' CG ' ' A' ' 45' ' ' ARG . 23.2 mt -74.07 -12.28 60.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.63 -52.87 20.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -82.77 -31.41 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.472 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 11.5 mmt-85 -46.61 170.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.3 m -94.62 136.12 35.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 46' ' ' SER . 38.6 t70 -35.67 126.85 0.66 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.436 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 110.57 -19.09 26.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.3 m -65.26 102.0 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 111.168 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.515 ' CG ' HD13 ' A' ' 118' ' ' LEU . 23.5 p90 -91.22 153.99 19.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.561 ' CD1' ' C ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -151.49 127.22 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.438 ' CG2' HG12 ' A' ' 64' ' ' ILE . 18.9 t -98.35 133.37 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.4 ptt85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.882 0.373 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.2 129.63 12.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.438 HG12 ' CG2' ' A' ' 52' ' ' VAL . 17.6 mt -99.78 133.06 44.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.1 m -137.0 125.86 24.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.448 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -128.68 164.8 29.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.438 ' HE3' ' C ' ' A' ' 70' ' ' VAL . 21.6 tptt -84.18 115.23 22.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.571 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 22.8 t80 -145.38 140.77 27.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.519 ' O ' HG21 ' A' ' 70' ' ' VAL . 15.5 t30 52.13 30.51 7.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.548 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 65.42 24.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -141.42 129.19 21.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 39' ' ' GLU . 95.2 t -74.76 99.27 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -83.39 157.28 22.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -129.31 143.5 50.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.594 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.8 mt -129.2 128.96 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.11 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -75.28 138.02 41.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 91.3 mt -109.03 104.08 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 mtm -78.62 157.17 28.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.2 p -132.22 143.4 49.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -158.72 126.03 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 63.86 24.96 13.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.51 18.98 62.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.3 mt -109.59 166.25 11.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -126.8 123.23 36.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.472 ' NE ' ' HB2' ' A' ' 91' ' ' ALA . 20.4 ptt180 -161.67 126.33 3.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.522 HG12 ' CE2' ' A' ' 102' ' ' TYR . 4.7 pt -63.98 -24.57 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.0 t -135.83 153.75 51.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -79.22 43.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.401 ' HA ' ' CE ' ' A' ' 89' ' ' LYS . 2.4 mmpt? -104.18 -37.3 7.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.413 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 20.7 tptt -163.01 119.94 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.472 ' HB2' ' NE ' ' A' ' 85' ' ' ARG . . . -98.0 153.39 18.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.498 ' CE2' ' HB2' ' A' ' 101' ' ' PHE . 3.6 m-85 -131.84 160.41 35.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -53.91 -43.06 69.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.34 -178.44 27.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.502 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.5 mm? -56.85 -61.33 2.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.372 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.458 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.9 m -32.82 -42.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -77.9 -57.76 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.575 HD23 ' CE2' ' A' ' 102' ' ' TYR . 2.5 tm? -45.69 -50.56 13.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.457 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 45.4 t -61.46 -44.16 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -50.94 -44.72 60.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.498 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 33.8 t80 -62.31 -42.63 99.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.575 ' CE2' HD23 ' A' ' 98' ' ' LEU . 11.4 m-85 -69.92 -23.03 63.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.465 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 73.5 mt-30 -67.2 -9.52 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.497 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.6 pt20 -118.23 -18.79 9.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.497 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 15.6 m-80 -121.72 144.49 48.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.8 m -70.7 139.78 51.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.58 -11.16 22.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -42.26 -33.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -44.81 -41.03 6.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.9 t -95.57 -35.33 11.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 114' ' ' LEU . 86.1 m-85 -134.35 86.3 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.815 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -43.09 -44.45 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.3 p -57.98 -34.42 69.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 111' ' ' PHE . 16.1 tp -100.95 95.3 6.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.98 80.27 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.571 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 9.9 t -131.73 -179.39 5.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 27.2 p -147.87 153.32 38.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.515 HD13 ' CG ' ' A' ' 50' ' ' PHE . 2.2 mm? -66.81 89.57 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.436 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.5 mt-30 -70.88 -72.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.434 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 1.0 OUTLIER -142.79 154.38 62.41 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.638 0.732 . . . . 0.0 110.896 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 167.03 25.6 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.385 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 15.1 p90 -80.75 -38.87 27.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 18.2 mttm -65.2 -26.12 68.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.5 tt0 -31.65 128.03 0.31 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.731 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.339 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.565 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 97.5 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.817 0.342 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.532 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 11.2 t -58.59 -33.8 70.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.1 m -57.24 -19.16 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.635 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 27.8 m-70 -76.35 159.44 30.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.5 mt -84.47 -35.0 23.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.635 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 7.6 p-90 -81.92 19.19 1.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.532 ' CD2' ' HA ' ' A' ' 24' ' ' SER . 22.2 t80 -114.23 94.81 4.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.933 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -98.27 36.16 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.136 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.32 -151.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.51 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 109.71 2.38 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.45 ' CE ' ' CD1' ' A' ' 41' ' ' ILE . 21.7 ttp -136.82 147.47 46.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -79.06 170.14 17.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ALA . 25.4 ttm180 -59.51 -62.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . -36.98 -58.06 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -42.48 -61.88 2.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.52 -45.92 56.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.738 0.304 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.453 ' HA ' ' CB ' ' A' ' 72' ' ' VAL . 21.8 mt-10 -66.35 -22.5 66.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.9 t -93.71 -19.6 20.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.45 ' CD1' ' CE ' ' A' ' 33' ' ' MET . 45.9 mt -73.39 -59.27 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.549 ' CD2' ' CD2' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -77.37 -2.48 35.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.85 -40.4 63.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -99.83 -26.51 14.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.461 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 27.0 mmm180 -52.95 171.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.77 141.41 28.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -40.44 122.05 1.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.408 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 117.95 -19.27 11.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.459 ' CG2' HD13 ' A' ' 42' ' ' LEU . 6.0 m -65.13 114.02 4.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 111.159 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.515 ' CG ' HD13 ' A' ' 118' ' ' LEU . 15.8 p90 -107.51 152.26 24.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.549 ' CD2' ' CD2' ' A' ' 42' ' ' LEU . 1.1 pp -152.92 130.76 11.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.61 145.32 9.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.1 ptt85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.874 0.369 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.95 136.3 12.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.1 mt -105.27 132.98 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.6 m -135.02 131.75 37.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.457 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -135.77 168.82 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -85.29 116.57 23.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.575 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 13.1 t80 -145.18 138.05 26.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.516 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.1 OUTLIER 51.5 31.71 7.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.55 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 65.94 25.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -141.46 130.7 23.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.453 ' CB ' ' HA ' ' A' ' 39' ' ' GLU . 69.9 t -74.71 100.02 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -83.37 157.59 22.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.427 ' CE1' ' HG2' ' A' ' 39' ' ' GLU . 7.7 m-70 -131.15 143.56 50.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.575 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.43 HG22 ' CD1' ' A' ' 86' ' ' ILE . 35.4 mt -127.22 130.29 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.111 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -76.73 136.5 39.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 96.5 mt -112.49 122.48 66.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 mtm -98.32 156.88 16.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 p -130.07 141.43 50.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.49 126.65 4.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 64.21 25.02 13.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.8 21.53 59.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.3 mt -112.56 169.35 8.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.49 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 46.3 m-85 -132.51 122.79 25.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.468 ' NE ' ' HB3' ' A' ' 91' ' ' ALA . 21.5 ptt180 -161.32 132.59 5.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.43 ' CD1' HG22 ' A' ' 75' ' ' ILE . 19.2 pt -71.68 -20.14 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.2 t -135.88 148.56 48.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -78.01 46.46 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -112.49 -41.17 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -152.09 120.68 6.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.468 ' HB3' ' NE ' ' A' ' 85' ' ' ARG . . . -105.15 150.5 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CE1' HD23 ' A' ' 98' ' ' LEU . 4.9 m-85 -127.79 158.08 38.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -49.1 -43.4 41.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.52 176.83 34.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.49 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.1 mm? -49.54 -57.56 6.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.458 ' C ' ' O ' ' A' ' 95' ' ' LEU . 5.5 m -33.17 -44.62 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.54 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.57 HD23 ' CE1' ' A' ' 92' ' ' PHE . 1.8 tm? -43.86 -50.31 7.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.444 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 55.5 t -65.62 -46.85 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -55.66 -34.08 64.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.403 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 53.7 t80 -69.19 -50.05 51.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.472 ' HB3' ' CD2' ' A' ' 118' ' ' LEU . 9.7 m-85 -62.47 -26.01 68.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -56.8 -14.05 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -115.23 -25.34 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -116.8 140.01 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.459 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 9.1 t -70.78 141.92 51.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.416 ' N ' ' CD2' ' A' ' 107' ' ' LEU . 1.5 mm? -65.49 -7.09 12.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.9 pttt -42.55 -42.39 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -43.59 -48.93 7.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.8 m -80.27 -38.38 31.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' A' ' 114' ' ' LEU . 83.3 m-85 -134.35 87.48 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -42.79 -30.77 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.447 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 47.7 t -72.87 -36.84 67.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 111' ' ' PHE . 6.2 tp -95.78 89.53 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -99.19 74.65 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.575 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 6.1 t -133.36 -177.85 4.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.459 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 1.1 p -149.99 158.49 44.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.515 HD13 ' CG ' ' A' ' 50' ' ' PHE . 2.1 mm? -70.25 93.82 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.408 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.2 mt-30 -75.46 -72.05 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -141.54 149.63 54.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.667 0.746 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 171.13 15.01 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.697 2.264 . . . . 0.0 112.369 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.579 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 11.7 p90 -87.95 -42.52 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 15.7 mttm -60.41 -24.86 65.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.2 tm-20 -33.0 133.72 0.3 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.627 0.727 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.143 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.55 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 94.9 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.2 t -58.61 -36.06 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.8 m -53.93 -31.97 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.67 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 22.6 m-70 -64.01 164.2 10.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.3 mt -89.72 -33.92 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.67 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.9 p-90 -82.53 19.41 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.529 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 12.2 t80 -115.24 94.48 4.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 122' ' ' PHE . . . -92.17 26.39 2.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.99 -144.98 0.38 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 94.07 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.651 2.234 . . . . 0.0 112.327 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.496 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 33.6 ttp -128.8 140.16 51.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -80.35 167.62 20.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 35' ' ' ARG . 17.3 ttp-105 -54.07 -56.65 16.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 37' ' ' GLY . . . -40.41 -65.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.06 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' ALA . . . -37.16 -51.91 1.64 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.59 99.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.741 0.305 . . . . 0.0 111.094 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 21.0 mt-10 -69.37 -22.96 63.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.5 t -95.48 -24.42 16.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.496 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 21.3 mt -79.26 -55.82 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.6 mt -75.88 -17.0 59.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.457 ' O ' ' NZ ' ' A' ' 67' ' ' LYS . . . -50.8 -47.18 59.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -86.54 -32.51 20.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.466 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 11.6 mmp_? -47.52 175.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.08 136.79 33.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -38.83 127.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.43 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 112.44 -20.99 20.19 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.0 m -65.21 107.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 111.183 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.537 ' CG ' HD12 ' A' ' 118' ' ' LEU . 20.5 p90 -97.25 153.1 18.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.557 ' CD1' ' C ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -151.21 128.22 11.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.3 t -94.83 121.68 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.421 HH21 ' CG ' ' A' ' 74' ' ' HIS . 21.6 ptt85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.89 0.376 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.443 ' N ' HD11 ' A' ' 77' ' ' ILE . . . -157.51 136.66 11.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.049 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.413 ' O ' ' CG1' ' A' ' 75' ' ' ILE . 13.1 mt -103.14 106.72 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -107.58 132.15 53.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.488 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -138.1 164.98 26.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.137 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.457 ' NZ ' ' O ' ' A' ' 43' ' ' ALA . 19.3 tptm -86.93 112.88 22.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.4 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 18.1 t80 -143.9 145.5 32.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.521 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 19.7 t30 51.51 31.85 8.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.536 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.9 OUTLIER 65.05 25.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.2 pt-20 -144.11 140.35 29.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 62.1 t -79.68 96.85 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -83.27 153.48 24.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.421 ' CG ' HH21 ' A' ' 53' ' ' ARG . 24.8 m-70 -119.03 143.76 46.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.617 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.413 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 3.7 mm -122.77 104.41 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -59.51 136.14 57.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.443 HD11 ' N ' ' A' ' 63' ' ' ALA . 95.7 mt -112.52 127.04 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.9 mtm -104.73 139.45 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 p -116.98 138.3 51.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.184 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -154.99 129.97 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 62.39 25.05 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.27 9.88 83.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.8 mt -103.89 160.09 15.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.476 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 81.9 m-85 -116.87 126.19 52.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.419 ' HB3' ' HA ' ' A' ' 91' ' ' ALA . 38.2 ptt85 -161.73 134.91 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.418 HD11 ' CB ' ' A' ' 110' ' ' CYS . 5.0 pt -79.21 -15.86 13.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.1 t -143.86 151.52 39.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.52 46.18 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.47 ' CE ' ' HB2' ' A' ' 109' ' ' ASP . 17.6 mtmm -113.06 -35.72 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.42 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 25.0 tptt -159.8 128.91 5.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 85' ' ' ARG . . . -110.87 150.58 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.537 ' CE1' HD21 ' A' ' 98' ' ' LEU . 5.3 m-85 -129.21 162.94 26.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -55.53 -44.74 76.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.3 177.77 31.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.476 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.3 mm? -51.02 -58.43 6.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.3 m -32.75 -46.55 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -74.84 -61.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.537 HD21 ' CE1' ' A' ' 92' ' ' PHE . 1.5 tm? -40.15 -49.12 2.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.453 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 58.9 t -65.1 -44.08 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -50.66 -45.9 58.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -62.22 -45.76 91.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.476 ' HB3' ' CD2' ' A' ' 118' ' ' LEU . 10.9 m-85 -69.04 -21.74 64.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.437 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 75.9 mt-30 -69.41 -11.31 60.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.477 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.7 pt20 -116.77 -19.02 10.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.477 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 13.8 m-80 -122.92 147.3 46.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.485 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 3.8 m -64.27 147.89 51.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.431 HD23 ' N ' ' A' ' 107' ' ' LEU . 0.7 OUTLIER -77.88 -12.47 59.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.912 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -41.63 -37.03 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.47 ' HB2' ' CE ' ' A' ' 89' ' ' LYS . 12.0 p-10 -37.74 -40.57 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.418 ' CB ' HD11 ' A' ' 86' ' ' ILE . 5.6 t -95.88 -33.53 12.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 114' ' ' LEU . 92.1 m-85 -131.68 80.72 1.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -41.16 -30.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.459 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 66.7 m -73.44 -38.57 65.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 111' ' ' PHE . 25.3 tp -98.28 96.87 8.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -101.21 75.88 1.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.4 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 14.8 t -123.62 -173.96 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.485 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 1.8 p -155.8 144.75 20.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.537 HD12 ' CG ' ' A' ' 50' ' ' PHE . 2.7 mm? -58.13 96.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.43 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.6 mt-30 -78.08 -74.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.439 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -141.4 152.37 63.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.667 0.746 . . . . 0.0 110.856 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.02 47.55 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.352 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.587 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 11.3 p90 -74.52 -35.43 63.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.587 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 18.2 mttm -70.19 -24.17 63.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.3 tm-20 -32.12 134.64 0.26 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.71 0.767 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.729 2.286 . . . . 0.0 112.311 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.556 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 52.1 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.834 0.349 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 t -58.27 -34.23 70.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.0 m -55.62 -27.3 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.15 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.576 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 31.4 m-70 -68.0 177.07 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.0 mt -99.26 -50.97 3.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.576 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 1.2 p-90 -59.78 -25.63 65.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 15.7 t80 -67.79 114.05 6.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.477 ' CB ' ' HE2' ' A' ' 33' ' ' MET . . . -118.42 37.7 3.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 37.47 -153.23 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 90.8 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.477 ' HE2' ' CB ' ' A' ' 30' ' ' ALA . 19.8 ttp -116.51 138.88 51.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.98 162.98 28.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.506 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 4.7 tmm_? -58.97 -53.87 53.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.506 ' N ' ' HD2' ' A' ' 35' ' ' ARG . . . -50.81 -48.93 59.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.92 -51.55 10.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.488 ' CB ' HD23 ' A' ' 51' ' ' LEU . . . -62.78 -36.78 84.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.312 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.473 ' HA ' ' CG2' ' A' ' 72' ' ' VAL . 23.2 mt-10 -69.6 -22.42 63.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.9 t -94.65 -28.52 15.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.452 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 35.0 mt -73.95 -53.3 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.452 ' HA ' ' CG ' ' A' ' 45' ' ' ARG . 31.4 mt -75.61 -11.08 59.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.13 -57.66 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -78.62 -33.24 47.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.452 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 27.1 mmt180 -43.41 165.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.2 m -90.04 136.81 32.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.1 p-10 -36.9 126.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.828 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.454 ' CA ' ' HG3' ' A' ' 119' ' ' GLN . . . 111.43 -19.69 23.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.511 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.1 m -65.68 100.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 111.16 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.508 ' CG ' HD12 ' A' ' 118' ' ' LEU . 23.4 p90 -89.59 157.64 17.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.553 ' CD1' ' C ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -154.77 133.78 12.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.402 HG21 ' CE3' ' A' ' 28' ' ' TRP . 22.1 t -105.12 145.38 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.457 ' NH2' ' ND1' ' A' ' 74' ' ' HIS . 14.0 ptt85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.857 0.36 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.93 130.42 20.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.5 mt -97.78 122.01 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.1 m -128.65 123.82 34.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.468 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -127.87 168.64 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -87.96 117.59 26.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.555 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 17.4 t80 -145.1 141.35 28.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.523 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 3.4 t-20 50.87 33.33 8.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.523 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.35 24.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 68' ' ' TYR . 3.0 pt-20 -141.42 136.44 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 39' ' ' GLU . 85.2 t -81.03 99.92 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -82.96 157.25 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.457 ' ND1' ' NH2' ' A' ' 53' ' ' ARG . 64.7 m-70 -128.12 142.94 51.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.586 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.7 mt -132.47 124.79 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 148.26 42.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 88.2 mt -116.07 109.06 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mtm -80.83 137.94 36.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.534 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.4 p -119.05 137.75 53.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.154 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.01 127.75 6.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 64.79 25.27 12.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.1 6.17 86.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mt -99.31 161.36 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.944 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.534 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 76.0 m-85 -125.69 124.87 42.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.454 ' HD3' ' CB ' ' A' ' 91' ' ' ALA . 19.9 ptt85 -162.05 123.89 2.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 43.0 pt -62.76 -21.0 26.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.0 t -136.79 152.6 50.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -81.54 45.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -112.82 -36.13 5.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.455 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 23.5 tptt -155.24 120.83 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.454 ' CB ' ' HD3' ' A' ' 85' ' ' ARG . . . -103.36 151.71 22.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.561 ' CE1' HD21 ' A' ' 98' ' ' LEU . 11.5 m-85 -130.65 159.81 36.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.923 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -57.02 -41.3 78.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.38 176.02 32.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.444 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.4 mm? -53.91 -59.48 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.9 0.381 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 95' ' ' LEU . 4.8 m -32.63 -44.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -76.79 -59.62 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.561 HD21 ' CE1' ' A' ' 92' ' ' PHE . 1.4 tm? -42.02 -48.97 4.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.448 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 24.4 t -64.3 -45.24 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -50.11 -45.51 52.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.408 ' O ' ' HG3' ' A' ' 104' ' ' GLN . 32.3 t80 -64.19 -42.66 96.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.533 ' CE2' ' CD2' ' A' ' 98' ' ' LEU . 8.2 m-85 -70.3 -20.01 63.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.472 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 73.4 mt-30 -69.2 -16.01 63.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.948 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.435 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.4 pt20 -110.46 -23.34 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.435 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 11.1 m-80 -116.7 140.76 49.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.463 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 2.8 m -68.26 145.43 54.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -68.69 -10.57 57.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.9 pttt -41.81 -36.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -49.02 -47.98 44.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.8 m -83.33 -40.74 19.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 114' ' ' LEU . 95.0 m-85 -134.75 85.48 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 113' ' ' SER . 1.9 tmtp? -37.8 -62.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.443 ' N ' ' HD3' ' A' ' 112' ' ' LYS . 4.5 m -42.37 -34.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 111' ' ' PHE . 6.9 tp -99.58 91.24 4.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.956 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.72 77.65 1.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.555 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 13.8 t -130.24 -177.8 4.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.463 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 1.0 OUTLIER -150.16 152.06 34.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.508 HD12 ' CG ' ' A' ' 50' ' ' PHE . 2.1 mm? -67.74 88.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.454 ' HG3' ' CA ' ' A' ' 48' ' ' GLY . 8.4 mt-30 -71.6 -72.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.457 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -141.72 152.05 61.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.62 0.724 . . . . 0.0 110.864 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 166.56 27.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.366 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.597 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 14.9 p90 -76.56 -37.71 56.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.597 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 8.6 mtmt -71.55 -18.75 62.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.3 tm-20 -34.78 133.78 0.42 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.313 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.53 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 62.9 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.762 0.315 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.0 p -57.18 -33.81 67.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.9 m -58.33 -19.47 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.53 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 31.9 m-70 -77.72 163.95 25.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.5 mt -90.14 -35.74 15.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.505 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.4 p-90 -80.36 15.29 1.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.414 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 18.8 t80 -107.66 94.55 5.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.516 ' CB ' ' CZ ' ' A' ' 122' ' ' PHE . . . -97.85 35.13 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.23 -153.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.444 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 85.65 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.451 ' HE2' ' CB ' ' A' ' 30' ' ' ALA . 27.7 ttp -110.72 146.75 35.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -82.86 146.69 28.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -39.96 -55.98 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.27 -61.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.29 -50.24 6.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.25 81.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -74.45 -23.11 58.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.3 t -91.95 -28.57 17.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.792 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.2 mt -74.62 -57.79 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.472 ' CD2' HD23 ' A' ' 51' ' ' LEU . 31.6 mt -65.69 -22.42 66.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.89 -45.51 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' ARG . 55.0 m-80 -88.21 -31.5 19.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.466 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 17.2 mmp_? -49.28 179.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.75 148.96 23.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 11.2 p-10 -50.14 102.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.453 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 132.79 -19.19 4.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.0 m -64.38 102.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.334 . . . . 0.0 111.09 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.562 ' CD2' HD12 ' A' ' 118' ' ' LEU . 23.5 p90 -88.66 154.89 19.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.578 ' HB2' ' CD1' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -153.18 129.14 10.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.6 t -99.48 141.84 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.811 0.339 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -136.41 130.17 32.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.421 ' CD1' HD13 ' A' ' 77' ' ' ILE . 44.5 mt -103.11 127.25 57.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.3 m -130.33 133.43 46.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.517 ' C ' ' CD1' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -137.67 168.82 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -89.86 115.42 27.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.569 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 11.8 t80 -144.45 142.51 30.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.512 ' O ' HG23 ' A' ' 70' ' ' VAL . 2.8 t-20 50.88 33.2 8.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.538 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.9 OUTLIER 65.16 24.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -141.54 141.02 33.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.4 t -84.24 98.81 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -83.63 156.82 22.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -129.5 144.92 51.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.653 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.41 ' CD1' HD13 ' A' ' 107' ' ' LEU . 19.5 mt -130.39 127.66 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.161 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.38 138.36 36.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.421 HD13 ' CD1' ' A' ' 64' ' ' ILE . 75.1 mt -109.44 103.76 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.8 mtm -74.74 142.57 44.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.556 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.1 p -116.61 136.5 52.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.67 127.87 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 66.16 25.23 10.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.98 18.04 70.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.469 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mt -113.09 170.89 7.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.775 0.321 . . . . 0.0 110.928 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.556 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 78.1 m-85 -132.25 124.97 29.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.951 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.471 ' CD ' ' HB3' ' A' ' 91' ' ' ALA . 11.0 ptt180 -161.63 124.4 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.401 HG13 ' N ' ' A' ' 87' ' ' THR . 5.6 pt -62.92 -21.56 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.401 ' N ' HG13 ' A' ' 86' ' ' ILE . 6.2 t -135.38 149.51 49.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -79.17 44.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -110.01 -34.99 6.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -160.21 121.53 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.471 ' HB3' ' CD ' ' A' ' 85' ' ' ARG . . . -102.28 153.11 20.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.561 ' CE1' HD21 ' A' ' 98' ' ' LEU . 7.3 m-85 -130.63 161.86 30.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -55.25 -43.99 75.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.48 -177.11 29.33 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 96' ' ' THR . 0.7 OUTLIER -53.91 -59.81 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.355 . . . . 0.0 110.879 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 95' ' ' LEU . 4.3 m -32.55 -44.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -75.3 -59.59 2.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.561 HD21 ' CE1' ' A' ' 92' ' ' PHE . 1.5 tm? -44.39 -51.41 8.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.04 -48.02 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -55.78 -33.29 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.474 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 65.2 t80 -71.21 -52.23 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.494 ' CE2' HD23 ' A' ' 98' ' ' LEU . 11.2 m-85 -59.6 -25.07 64.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.944 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -55.99 -13.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.96 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -117.21 -21.42 8.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -119.89 125.69 49.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.469 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 8.6 t -57.5 144.85 35.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.41 HD13 ' CD1' ' A' ' 75' ' ' ILE . 1.1 mm? -67.15 -10.58 51.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -42.48 -35.38 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -41.4 -43.0 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.2 t -94.64 -30.08 14.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 114' ' ' LEU . 99.1 m-85 -134.68 80.38 1.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.49 -26.3 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 91.0 p -73.57 -38.06 65.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.831 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 111' ' ' PHE . 25.6 tp -95.51 97.87 10.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.48 80.09 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.569 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 14.6 t -141.4 156.88 45.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 17.5 p -126.14 150.28 48.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.562 HD12 ' CD2' ' A' ' 50' ' ' PHE . 2.8 mm? -57.43 91.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.453 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.6 mt-30 -71.5 -74.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -142.45 154.13 63.2 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.617 0.722 . . . . 0.0 110.88 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 171.53 14.35 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.336 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.6 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 26.9 p90 -81.39 -39.95 24.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.6 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 8.7 mtmm -67.96 -21.68 65.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 123' ' ' LYS . 1.7 tt0 -32.37 126.38 0.37 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.631 0.729 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.138 0 C-N-CA 122.69 2.26 . . . . 0.0 112.328 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.555 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 71.9 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.848 0.356 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.6 t -56.74 -36.89 70.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -53.96 -24.32 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.645 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 22.4 m-70 -70.12 158.45 35.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.825 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.0 mt -87.25 -33.08 19.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.645 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.1 p-90 -82.98 18.31 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -112.23 97.23 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.471 ' HB1' ' CZ ' ' A' ' 122' ' ' PHE . . . -99.9 35.51 2.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.109 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 34.65 -148.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 87.76 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.499 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 26.0 ttp -118.0 137.57 52.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -75.01 162.86 28.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.454 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 15.2 ttp-105 -55.2 -52.93 61.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.66 -57.38 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.5 -53.25 8.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.07 -36.13 76.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 111.095 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -72.38 -27.32 62.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.4 t -93.16 -22.97 18.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.499 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 26.0 mt -78.08 -55.76 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.407 ' HA ' ' CG ' ' A' ' 45' ' ' ARG . 28.4 mt -76.38 -18.05 59.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.57 -44.45 18.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -88.64 -31.49 18.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.407 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 14.6 mmp_? -48.79 171.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -90.08 137.29 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.82 122.08 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.465 ' CA ' ' HG3' ' A' ' 119' ' ' GLN . . . 116.71 -20.13 12.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.2 m -65.52 105.81 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 111.162 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.581 ' CD2' HD12 ' A' ' 118' ' ' LEU . 25.5 p90 -94.04 150.94 19.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.512 ' HB2' ' CD1' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -148.81 128.28 13.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.0 t -96.83 138.71 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.454 ' CZ ' ' HA ' ' A' ' 35' ' ' ARG . 21.9 ptt85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.427 ' C ' ' HB ' ' A' ' 77' ' ' ILE . 60.2 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.861 0.363 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.69 136.47 11.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.088 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 75' ' ' ILE . 8.7 mt -106.3 122.28 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.9 t -121.73 131.23 53.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.478 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -138.38 162.98 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -85.81 114.56 22.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.56 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 16.7 t80 -144.22 145.9 32.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.505 ' O ' HG22 ' A' ' 70' ' ' VAL . 10.4 t-20 51.35 32.7 8.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.557 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 65.34 25.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -143.8 139.1 29.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 99.6 t -78.66 96.63 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -83.24 153.65 24.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -124.72 147.97 48.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.626 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 64' ' ' ILE . 33.2 mm -119.38 146.24 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.118 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -96.68 114.8 26.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.427 ' HB ' ' C ' ' A' ' 62' ' ' PHE . 83.0 mt -93.54 126.67 45.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.1 mtm -107.4 159.0 16.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 p -134.82 139.75 45.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.83 124.95 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 68.31 25.0 7.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.19 20.88 63.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.5 mt -113.61 167.77 10.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.416 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 54.3 m-85 -128.75 124.38 35.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.432 ' NE ' ' O ' ' A' ' 87' ' ' THR . 0.0 OUTLIER -161.9 131.19 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.561 HG12 ' CE2' ' A' ' 102' ' ' TYR . 3.1 pt -71.33 -11.68 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.432 ' O ' ' NE ' ' A' ' 85' ' ' ARG . 6.3 t -148.33 166.13 28.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.4 37.34 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 89' ' ' LYS . 1.5 mmmp? -98.91 -39.2 8.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.583 ' HE3' ' CE2' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -163.63 121.15 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -96.4 159.88 14.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.583 ' CE2' ' HE3' ' A' ' 90' ' ' LYS . 7.6 m-85 -137.34 158.35 44.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 56.1 mmt-85 -50.3 -48.64 55.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.96 179.22 30.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.3 mm? -48.96 -63.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 95' ' ' LEU . 20.8 m -32.63 -48.54 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -71.78 -58.33 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.526 HD21 ' CD1' ' A' ' 92' ' ' PHE . 2.0 tm? -43.73 -52.53 6.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.445 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 61.2 t -60.4 -45.4 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -48.36 -38.44 19.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.559 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 38.6 t80 -67.89 -56.8 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.561 ' CE2' HG12 ' A' ' 86' ' ' ILE . 13.6 m-85 -58.81 -18.41 31.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.486 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 31.9 mt-30 -70.51 -13.67 62.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.484 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 1.3 pt20 -115.55 -22.03 9.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.484 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 8.3 m-80 -121.45 145.72 47.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.49 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 23.3 t -67.19 143.46 56.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.2 mp -74.19 -7.37 52.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -41.68 -36.0 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 109' ' ' ASP . 1.2 t0 -41.6 -43.85 2.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.476 ' CB ' HD13 ' A' ' 86' ' ' ILE . 35.2 t -90.95 -33.41 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 114' ' ' LEU . 94.5 m-85 -133.28 80.6 1.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -39.33 -44.2 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 60.3 p -60.66 -37.37 81.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 111' ' ' PHE . 21.8 tp -99.52 95.09 6.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.27 66.93 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.56 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 13.3 t -118.79 -178.83 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.49 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 9.4 p -147.47 166.99 25.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.581 HD12 ' CD2' ' A' ' 50' ' ' PHE . 1.7 mm? -77.48 94.87 4.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.465 ' HG3' ' CA ' ' A' ' 48' ' ' GLY . 6.0 mt-30 -75.71 -71.58 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -143.35 153.35 59.16 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 163.31 38.74 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 2.279 . . . . 0.0 112.363 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.587 ' CE1' ' HG3' ' A' ' 123' ' ' LYS . 8.7 p90 -78.59 -41.14 32.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.587 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 21.8 mttm -62.39 -26.28 68.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.4 tt0 -31.26 128.39 0.29 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 110.958 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.139 0 C-N-CA 122.691 2.261 . . . . 0.0 112.314 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.569 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 96.3 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.2 m -60.29 -37.66 81.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 26' ' ' HIS . 16.4 m -53.5 -20.22 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.609 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 36.9 m-70 -78.8 157.08 28.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.8 mt -83.55 -33.58 25.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.609 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 7.3 p-90 -82.99 18.95 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.569 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 8.4 t80 -115.06 96.03 5.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.567 ' HB1' ' CZ ' ' A' ' 122' ' ' PHE . . . -97.0 37.18 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 34.4 -147.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 94.8 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.366 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.504 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 34.1 ttp -126.59 137.13 53.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -78.27 153.17 32.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.486 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 35.4 ttp180 -43.17 -59.16 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . -37.33 -63.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.97 -54.48 3.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.27 76.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.735 0.302 . . . . 0.0 111.117 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -70.49 -27.85 64.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 t -91.04 -23.94 20.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.504 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 19.2 mt -77.16 -58.44 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.104 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.455 ' HA ' ' CG ' ' A' ' 45' ' ' ARG . 30.7 mt -68.93 -19.49 64.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.33 -48.28 18.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -86.02 -32.31 21.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.455 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 20.9 mmt180 -47.23 171.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -93.71 135.78 34.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' SER . 3.3 p-10 -37.02 124.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.432 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 113.6 -21.51 16.55 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.0 m -64.92 106.92 1.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.125 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.524 ' CG ' HD13 ' A' ' 118' ' ' LEU . 21.7 p90 -95.24 156.01 16.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.438 HD11 ' C ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -152.83 130.71 11.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.6 t -100.65 129.95 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 6.9 ptt-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.432 ' N ' HD13 ' A' ' 77' ' ' ILE . . . -156.86 142.87 17.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.4 mt -109.97 111.22 35.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 4.3 t -109.33 131.25 55.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.48 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -138.1 162.7 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.434 ' HE3' ' C ' ' A' ' 70' ' ' VAL . 20.3 tptt -84.44 113.62 21.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.561 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 18.3 t80 -144.43 140.93 29.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.521 ' C ' HG13 ' A' ' 70' ' ' VAL . 2.5 t30 51.87 31.15 7.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.533 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.9 OUTLIER 65.44 25.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.0 pt-20 -143.11 135.68 27.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 68.0 t -78.26 98.62 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -83.43 156.88 22.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.486 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 49.7 m-70 -119.25 146.95 44.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.59 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.416 ' CG2' HD12 ' A' ' 86' ' ' ILE . 4.1 mm -126.9 97.17 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -56.08 126.18 24.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.432 HD13 ' N ' ' A' ' 63' ' ' ALA . 95.3 mt -103.23 116.2 46.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 mtm -94.18 142.36 27.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.9 p -120.25 133.98 55.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.16 118.2 9.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 68.46 25.01 6.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.22 -13.93 65.86 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.1 mt -79.16 153.52 30.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -114.49 125.96 54.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.408 ' HB3' ' HA ' ' A' ' 91' ' ' ALA . 25.3 ptt85 -162.15 135.94 6.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.416 HD12 ' CG2' ' A' ' 75' ' ' ILE . 5.6 pt -82.25 -14.41 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.423 ' HG1' ' N ' ' A' ' 88' ' ' GLU . 6.8 t -140.48 147.67 39.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.423 ' N ' ' HG1' ' A' ' 87' ' ' THR . 15.8 pt-20 -77.66 47.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -112.65 -43.3 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.572 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.4 tmtt? -154.5 121.11 5.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.408 ' HA ' ' HB3' ' A' ' 85' ' ' ARG . . . -99.78 149.22 23.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.038 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.572 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 8.9 m-85 -124.48 166.76 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -59.8 -46.84 87.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.7 179.9 28.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.453 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.3 mm? -52.68 -62.36 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.4 m -32.41 -44.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -75.76 -58.37 3.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 92' ' ' PHE . 1.6 tm? -43.82 -48.25 8.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.457 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 57.4 t -64.76 -45.14 96.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -49.73 -44.65 48.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.475 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 43.3 t80 -62.0 -49.4 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.473 ' HB3' ' CD2' ' A' ' 118' ' ' LEU . 11.3 m-85 -65.57 -23.08 66.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.464 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 79.0 mt-30 -68.61 -11.4 60.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.467 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.1 pt20 -117.8 -20.18 8.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.467 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 12.7 m-80 -123.73 146.02 48.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.472 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 9.8 t -61.68 147.24 46.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 107' ' ' LEU . 1.2 mm? -77.45 -11.98 59.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -41.93 -34.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -37.98 -38.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.1 t -101.66 -32.19 10.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 114' ' ' LEU . 92.1 m-85 -131.06 80.73 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.9 OUTLIER -41.53 -33.08 0.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.458 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 36.1 t -69.83 -38.36 76.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 111' ' ' PHE . 30.9 tp -96.82 96.39 8.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.944 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.11 71.91 1.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.561 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 10.6 t -125.99 -179.36 4.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.18 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 8.0 p -148.44 151.81 35.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.524 HD13 ' CG ' ' A' ' 50' ' ' PHE . 2.5 mm? -61.96 96.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.432 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.2 mt-30 -75.97 -72.87 0.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -144.08 153.47 56.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.656 0.741 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 162.7 41.08 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.241 . . . . 0.0 112.313 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.583 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 8.3 p90 -75.68 -35.94 60.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.583 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 16.3 mtmt -70.35 -23.06 62.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.3 tm-20 -32.77 133.43 0.3 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.674 0.75 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.26 . . . . 0.0 112.335 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.505 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 38.0 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.843 0.354 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.415 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 3.0 m -57.96 -32.55 67.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.2 m -53.87 -30.39 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.505 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 27.7 m-70 -65.85 175.08 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.5 mt -96.53 -52.76 3.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.46 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 2.1 p-90 -58.99 -21.89 59.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.438 ' CE1' ' HB2' ' A' ' 23' ' ' LEU . 19.1 t80 -72.08 111.49 7.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.475 ' CB ' ' HE3' ' A' ' 33' ' ' MET . . . -116.48 35.63 4.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 37.69 -155.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 99.64 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.719 2.279 . . . . 0.0 112.32 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.475 ' HE3' ' CB ' ' A' ' 30' ' ' ALA . 33.1 ttp -127.97 139.7 52.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -70.71 160.97 31.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.563 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 29.9 ttp180 -53.6 -50.41 65.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.63 -64.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.27 -51.3 2.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.37 -35.66 81.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.74 0.305 . . . . 0.0 111.1 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.464 ' HA ' ' CG2' ' A' ' 72' ' ' VAL . 28.2 mt-10 -77.09 -22.93 52.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.4 t -95.15 -24.39 16.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.9 mt -76.08 -57.19 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.466 ' HA ' ' CG ' ' A' ' 45' ' ' ARG . 15.1 mt -75.05 -10.92 59.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.26 -50.1 40.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -85.54 -31.66 22.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.466 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 29.4 mmm180 -47.93 174.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.98 138.4 31.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -40.85 127.48 2.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.466 ' CA ' ' HG3' ' A' ' 119' ' ' GLN . . . 113.0 -20.52 19.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.532 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.2 m -65.15 106.49 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.363 . . . . 0.0 111.149 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.612 ' CD2' HD11 ' A' ' 118' ' ' LEU . 27.5 p90 -95.1 153.81 17.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.574 ' HB2' ' CD1' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -151.55 127.07 10.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.0 t -96.4 140.89 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 2.1 ptt-85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.845 0.355 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.447 ' O ' ' NH1' ' A' ' 53' ' ' ARG . . . -151.34 140.4 21.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 75' ' ' ILE . 53.9 mt -108.95 127.4 65.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 4.8 t -128.39 129.5 46.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.481 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -136.41 169.42 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -92.0 116.23 28.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.555 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 15.1 t80 -144.69 143.11 30.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.513 ' O ' HG22 ' A' ' 70' ' ' VAL . 7.3 t30 51.09 33.6 9.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.552 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 65.28 25.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -143.1 139.38 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 39' ' ' GLU . 64.6 t -79.41 98.07 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -82.96 157.63 22.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.563 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 6.1 m-70 -128.62 155.26 45.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.617 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 64' ' ' ILE . 33.5 mt -138.4 126.83 30.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.138 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -76.21 137.82 40.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.415 ' CD1' HG13 ' A' ' 64' ' ' ILE . 95.7 mt -110.7 131.12 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.2 mtm -106.57 158.52 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 p -134.34 139.75 45.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -158.91 123.48 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 66.66 24.96 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.35 21.43 58.54 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.7 mt -113.43 172.82 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.595 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 38.6 m-85 -134.95 125.74 27.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.405 ' HB3' ' HA ' ' A' ' 91' ' ' ALA . 5.8 ptt-85 -161.83 128.84 3.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.7 pt -71.92 -20.12 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.4 t -137.18 151.63 49.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.81 47.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -112.0 -37.04 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 22.6 tptt -161.3 130.19 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.952 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.484 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -111.43 158.56 18.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.081 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.555 ' CE1' HD21 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -138.53 158.64 43.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.14 -58.3 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.417 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -143.99 -179.52 20.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.595 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.0 mm? -49.51 -59.5 3.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 95' ' ' LEU . 16.7 m -32.82 -47.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -72.2 -60.98 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.603 HD13 ' CD2' ' A' ' 102' ' ' TYR . 1.9 tm? -41.08 -49.49 3.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.3 t -64.74 -42.41 94.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -51.62 -35.53 42.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.53 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 30.9 t80 -73.87 -58.4 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.603 ' CD2' HD13 ' A' ' 98' ' ' LEU . 22.0 m-30 -55.31 -12.23 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.931 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.469 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 50.6 mt-30 -73.62 -22.6 59.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.944 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.585 ' HG2' ' ND2' ' A' ' 105' ' ' ASN . 8.3 pt20 -115.34 -9.31 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.585 ' ND2' ' HG2' ' A' ' 104' ' ' GLN . 0.1 OUTLIER -126.98 118.87 25.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.481 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 46.6 t -46.89 149.4 0.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.413 ' N ' ' CD2' ' A' ' 107' ' ' LEU . 1.5 mm? -76.62 -11.15 59.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -43.16 -26.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.78 -39.49 25.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 14.4 t -98.43 -33.02 11.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -133.39 85.99 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 113' ' ' SER . 4.1 pttp -45.81 -28.91 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.464 ' N ' ' HG3' ' A' ' 112' ' ' LYS . 51.6 p -72.78 -33.87 66.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 12.7 tp -99.32 92.95 5.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.58 77.51 2.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.555 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 15.0 t -130.76 -176.84 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.481 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 1.9 p -153.15 149.32 27.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.612 HD11 ' CD2' ' A' ' 50' ' ' PHE . 2.6 mm? -63.42 91.07 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.466 ' HG3' ' CA ' ' A' ' 48' ' ' GLY . 6.9 mt-30 -74.07 -72.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.963 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -142.0 151.36 58.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.692 0.758 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 163.5 38.02 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 2.247 . . . . 0.0 112.401 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.59 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 15.6 p90 -75.94 -34.74 59.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.59 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 21.6 mttt -71.57 -23.71 61.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.5 tm-20 -32.6 134.56 0.28 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.667 0.746 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.721 2.281 . . . . 0.0 112.344 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.55 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 31.4 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.789 0.328 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.1 p -59.46 -35.9 74.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 m -56.5 -31.62 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.564 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 34.7 m-70 -66.92 160.09 26.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -87.86 -34.27 18.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.564 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 7.0 p-90 -81.57 19.06 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.546 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 20.3 t80 -113.46 93.22 4.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.473 ' CB ' ' HE3' ' A' ' 33' ' ' MET . . . -91.09 25.4 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 40.64 -142.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 88.28 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.711 2.274 . . . . 0.0 112.361 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.473 ' HE3' ' CB ' ' A' ' 30' ' ' ALA . 25.2 ttp -124.83 141.96 51.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -88.36 168.81 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.528 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 48.0 ttp180 -54.48 -54.25 43.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.66 -60.93 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.07 -52.34 6.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.522 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.472 ' CB ' HD23 ' A' ' 51' ' ' LEU . . . -61.87 -40.99 97.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -67.44 -27.06 66.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.4 t -93.03 -19.38 21.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.0 mt -84.67 -55.78 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.143 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.1 mt -75.0 -15.25 60.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.28 -45.24 62.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -89.38 -31.34 17.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -46.86 173.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.1 m -92.85 133.79 35.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.4 OUTLIER -36.56 118.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.428 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 119.73 -20.52 9.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.538 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.463 ' CG2' ' HA ' ' A' ' 122' ' ' PHE . 5.6 m -64.9 101.62 0.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.761 0.315 . . . . 0.0 111.186 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.53 ' CG ' HD12 ' A' ' 118' ' ' LEU . 23.8 p90 -91.63 152.02 20.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.567 ' CD1' ' C ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -150.29 131.81 14.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.6 t -100.32 140.98 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.134 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 3.9 ptt-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.78 140.44 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.124 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 74.1 mt -103.75 115.76 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 2.5 t -120.29 129.34 53.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.488 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -139.44 162.54 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -86.09 116.29 24.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.573 ' CE1' ' HB ' ' A' ' 116' ' ' THR . 13.6 t80 -143.85 142.69 30.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.511 ' O ' HG22 ' A' ' 70' ' ' VAL . 20.2 t30 50.82 33.57 8.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.555 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 65.25 25.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.167 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 68' ' ' TYR . 3.8 pt-20 -141.85 138.44 32.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 66.5 t -79.63 98.97 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -82.98 156.96 23.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.528 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 7.7 m-70 -131.22 150.75 52.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.642 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.47 ' CG2' HD13 ' A' ' 86' ' ' ILE . 54.5 mt -133.86 127.51 52.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.155 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.59 135.08 38.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 88.4 mt -110.55 127.98 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.7 mtm -105.83 157.61 17.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 p -129.63 141.87 50.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.151 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.14 124.72 3.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 65.88 25.03 11.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.66 19.32 64.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 mt -111.48 168.58 9.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -129.66 122.89 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.466 ' NE ' ' HB1' ' A' ' 91' ' ' ALA . 14.4 ptt180 -161.89 129.53 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.47 HD13 ' CG2' ' A' ' 75' ' ' ILE . 41.9 pt -68.88 -23.15 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.8 t -133.08 149.62 52.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -78.33 48.01 0.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -109.29 -45.04 3.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.569 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.8 tmtt? -154.93 116.89 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.466 ' HB1' ' NE ' ' A' ' 85' ' ' ARG . . . -94.05 154.29 17.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.569 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 9.2 m-85 -129.88 158.83 38.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.45 ' NH1' ' HB3' ' A' ' 93' ' ' ARG . 4.7 mmm180 -52.23 -42.02 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.68 175.4 36.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.1 mm? -48.17 -59.14 3.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.92 0.391 . . . . 0.0 110.946 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 95' ' ' LEU . 10.2 m -32.66 -42.37 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -79.75 -58.3 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.544 HD23 ' CD1' ' A' ' 92' ' ' PHE . 2.1 tm? -43.03 -44.51 4.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.464 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 86.5 t -69.59 -43.98 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -53.3 -45.24 68.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.44 ' O ' ' HG3' ' A' ' 104' ' ' GLN . 55.1 t80 -61.9 -38.13 87.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.507 ' CD2' HD12 ' A' ' 98' ' ' LEU . 11.3 m-85 -77.08 -20.52 55.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.473 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 75.0 mt-30 -67.75 -20.72 65.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.521 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 4.8 pt20 -106.43 -24.09 12.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.521 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 26.0 m-80 -118.51 140.3 50.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.476 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 32.7 t -67.4 148.02 52.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 107' ' ' LEU . 2.1 mm? -72.16 -10.45 59.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.946 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 41.3 pttt -41.86 -44.1 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 27.3 t70 -44.93 -49.85 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 9.6 m -82.95 -37.21 24.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -134.91 87.21 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -43.01 -46.32 5.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.2 t -56.9 -33.29 66.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.6 tp -102.59 92.59 4.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -102.49 73.81 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.573 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 10.5 t -138.55 179.84 6.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.476 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 8.1 p -142.1 154.52 44.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.53 HD12 ' CG ' ' A' ' 50' ' ' PHE . 2.6 mm? -63.63 88.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.428 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.6 mt-30 -65.63 -73.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.465 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -144.05 154.74 58.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.688 0.756 . . . . 0.0 110.878 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 163.55 37.91 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.665 2.243 . . . . 0.0 112.314 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.585 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 12.8 p90 -77.87 -40.42 40.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.585 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 21.3 mttt -63.35 -25.58 68.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.3 tm-20 -32.71 133.15 0.3 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.335 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.43 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 87.6 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.828 0.347 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.0 p -59.77 -30.07 68.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 m -57.23 -19.76 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.56 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 34.5 m-70 -80.21 167.54 20.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.6 mt -93.2 -33.06 14.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.56 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.1 p-90 -83.11 17.23 2.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.43 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 12.1 t80 -109.19 96.88 6.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.464 ' HB1' ' CZ ' ' A' ' 122' ' ' PHE . . . -99.26 30.58 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.112 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.9 -144.59 0.25 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 87.76 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.671 2.247 . . . . 0.0 112.345 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.463 ' HE1' ' CD1' ' A' ' 41' ' ' ILE . 14.7 ttm -115.86 143.74 44.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.419 ' N ' ' HG2' ' A' ' 33' ' ' MET . 36.1 mt-10 -89.77 159.08 17.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -47.62 -53.26 15.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.78 -56.58 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.78 -51.34 18.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.458 ' CB ' HD23 ' A' ' 51' ' ' LEU . . . -63.59 -37.5 87.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.753 0.311 . . . . 0.0 111.072 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -72.52 -27.1 62.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.6 m -92.01 -23.54 19.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.463 ' CD1' ' HE1' ' A' ' 33' ' ' MET . 31.9 mt -79.06 -57.95 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.9 mt -72.6 -10.37 59.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.8 -54.76 25.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -81.43 -32.55 32.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -45.58 168.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.3 m -86.63 133.06 33.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' SER . 4.1 p-10 -37.71 121.85 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.42 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 117.51 -19.83 11.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.9 m -65.22 100.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 111.12 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.491 ' CB ' HD13 ' A' ' 118' ' ' LEU . 25.1 p90 -86.83 152.03 22.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.55 ' CD1' ' C ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -149.29 130.23 14.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.0 t -98.23 131.87 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.9 ptt85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 . . . . . 0 CA--C 1.526 0.049 0 CA-C-O 120.909 0.385 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.34 143.66 20.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.0 mt -106.83 124.69 62.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.0 m -126.64 128.81 47.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.472 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -135.68 167.93 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.098 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.453 ' CE ' ' HA ' ' A' ' 70' ' ' VAL . 24.9 tptt -89.57 116.35 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.597 ' CE1' ' HB ' ' A' ' 116' ' ' THR . 11.2 t80 -145.3 139.83 27.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.508 ' O ' HG21 ' A' ' 70' ' ' VAL . 2.7 t30 51.54 32.73 9.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.563 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 64.3 25.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -140.14 129.17 23.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.8 t -74.19 99.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -82.68 157.04 23.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -133.41 138.79 46.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.592 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.452 HG22 ' CD1' ' A' ' 86' ' ' ILE . 56.4 mt -124.89 127.73 72.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 138.54 41.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 97.4 mt -110.99 105.9 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.7 mtm -78.29 137.77 38.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 p -117.47 139.54 50.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.411 ' HB3' ' NH2' ' A' ' 85' ' ' ARG . . . -159.09 128.66 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 64.49 25.04 13.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.55 16.17 71.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.2 mt -106.93 165.61 11.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.446 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 72.6 m-85 -127.67 121.63 30.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.447 ' CD ' ' HB2' ' A' ' 91' ' ' ALA . 19.2 ptt85 -161.78 131.82 4.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.452 ' CD1' HG22 ' A' ' 75' ' ' ILE . 18.2 pt -74.09 -16.99 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.409 ' O ' ' HD2' ' A' ' 85' ' ' ARG . 5.1 t -136.36 144.5 44.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -77.59 45.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -112.4 -38.13 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.602 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.1 tmtm? -156.17 114.09 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.447 ' HB2' ' CD ' ' A' ' 85' ' ' ARG . . . -95.77 154.16 17.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.602 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 10.6 m-85 -127.74 160.8 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -57.82 -40.29 79.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.0 173.73 34.61 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.1 mm? -48.91 -61.74 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 95' ' ' LEU . 11.5 m -33.22 -45.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -74.01 -56.64 4.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.588 HD23 ' CD1' ' A' ' 92' ' ' PHE . 2.3 tm? -45.04 -49.83 11.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.452 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 46.1 t -62.48 -44.2 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -48.06 -47.08 34.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.462 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 32.1 t80 -61.86 -48.74 79.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.578 ' CE2' HD22 ' A' ' 98' ' ' LEU . 20.0 m-85 -68.18 -20.09 64.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.474 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 56.4 mt-30 -70.21 -11.42 60.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.958 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.466 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.1 pt20 -115.75 -21.41 9.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.466 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 13.2 m-80 -119.27 149.11 42.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.462 ' HB3' ' CE ' ' A' ' 108' ' ' LYS . 31.1 t -75.31 138.6 41.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.86 -13.34 32.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.462 ' CE ' ' HB3' ' A' ' 106' ' ' SER . 6.9 ptpt -41.8 -36.77 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -50.42 -45.73 55.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.406 ' SG ' HD11 ' A' ' 86' ' ' ILE . 3.8 m -85.15 -39.11 18.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 114' ' ' LEU . 92.6 m-85 -135.05 87.13 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 113' ' ' SER . 1.4 tmmt? -33.96 -64.31 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.456 ' N ' ' HD2' ' A' ' 112' ' ' LYS . 8.9 m -40.3 -40.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 111' ' ' PHE . 3.8 tp -92.17 97.11 10.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 115' ' ' ASP . 29.0 t0 -111.27 65.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.597 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 14.6 t -129.01 -175.65 3.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 39.2 p -144.34 159.28 42.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.491 HD13 ' CB ' ' A' ' 50' ' ' PHE . 2.4 mm? -69.78 89.23 0.56 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.42 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 11.3 mt-30 -67.21 -74.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.484 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 1.1 m-85 -142.36 155.58 64.36 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.649 0.738 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.69 18.36 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.661 2.241 . . . . 0.0 112.309 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.586 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 17.2 p90 -81.01 -37.99 28.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.586 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 28.6 mttt -67.59 -24.22 65.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.2 tt0 -32.99 128.06 0.38 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.721 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.15 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 51.4 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.807 0.337 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.432 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 62.3 p -57.21 -36.4 70.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.8 m -55.91 -21.23 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.088 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.609 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 26.1 m-70 -72.85 162.69 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.9 mt -89.64 -34.76 16.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.609 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.3 p-90 -80.64 15.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.432 ' CD2' ' HA ' ' A' ' 24' ' ' SER . 6.8 t80 -106.09 95.75 5.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -99.77 34.77 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.07 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 34.28 -147.64 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 134.48 28.15 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.25 . . . . 0.0 112.34 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.426 ' CE ' ' CD1' ' A' ' 41' ' ' ILE . 14.7 ttp -172.61 148.85 2.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.824 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -84.61 171.31 12.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.559 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 31.8 ttp180 -60.75 -50.19 74.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.54 -57.68 3.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.1 -62.89 3.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.434 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.466 ' HB1' ' CD ' ' A' ' 53' ' ' ARG . . . -50.52 -39.65 49.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 111.121 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -67.65 -23.16 65.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -95.74 -20.27 19.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.426 ' CD1' ' CE ' ' A' ' 33' ' ' MET . 84.2 mt -78.53 -51.5 17.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.471 ' HA ' ' CG ' ' A' ' 45' ' ' ARG . 10.1 mt -79.58 -10.47 59.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.35 -41.69 39.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -93.71 -27.22 16.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.471 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 5.5 mmp_? -48.41 176.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.23 142.47 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -45.82 101.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.477 ' CA ' ' HG3' ' A' ' 119' ' ' GLN . . . 132.92 -18.19 4.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.483 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.5 m -64.76 100.84 0.42 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.8 0.333 . . . . 0.0 111.117 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.571 ' CD2' HD12 ' A' ' 118' ' ' LEU . 21.0 p90 -88.0 156.31 19.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.46 HD22 ' CD2' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -154.96 128.02 8.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.926 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.0 t -94.97 130.38 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.466 ' CD ' ' HB1' ' A' ' 38' ' ' ALA . 27.8 ptt85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.842 0.353 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -147.07 136.12 22.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.9 mt -105.94 110.38 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 51' ' ' LEU . 6.9 m -111.77 132.91 54.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.468 ' CB ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -135.74 167.13 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.151 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.643 ' HZ3' ' N ' ' A' ' 70' ' ' VAL . 3.9 tptp -89.34 108.13 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.463 ' N ' ' HZ1' ' A' ' 67' ' ' LYS . 17.1 t80 -146.23 155.07 42.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.507 ' O ' HG23 ' A' ' 70' ' ' VAL . 9.8 t-20 49.67 36.76 11.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.643 ' N ' ' HZ3' ' A' ' 67' ' ' LYS . 0.7 OUTLIER 58.35 24.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 5.1 pt-20 -147.86 151.3 35.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 46.7 t -86.55 93.3 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 65' ' ' SER . 10.9 mmtt -82.38 152.72 26.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.559 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 7.9 m-70 -121.15 152.6 38.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.621 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.1 mm -124.44 119.96 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.108 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -73.66 121.02 20.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.7 mt -97.28 127.42 49.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.4 mtm -102.93 155.26 18.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.84 139.29 51.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.157 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.16 126.82 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 66.39 25.08 10.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.26 15.61 76.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.1 mt -110.59 165.64 11.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -125.48 127.73 46.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -162.29 129.4 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.535 HG12 ' CZ ' ' A' ' 102' ' ' TYR . 5.4 pt -68.9 -19.05 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.5 t -142.94 152.26 41.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -76.8 47.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -111.24 -34.69 6.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.401 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 16.8 tptt -163.56 124.01 2.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -103.85 151.6 22.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 101' ' ' PHE . 3.5 m-85 -130.06 167.37 18.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 55.2 mmt-85 -57.56 -43.35 84.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.01 179.89 34.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.5 mm? -45.69 -65.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.869 0.366 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 95' ' ' LEU . 4.5 m -32.23 -55.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.417 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 8.0 mm-40 -62.62 -54.47 39.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.668 ' CD2' ' CE2' ' A' ' 102' ' ' TYR . 1.3 tm? -49.73 -60.9 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.417 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 45.2 t -54.92 -46.55 76.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -47.37 -37.66 11.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.469 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 60.2 t80 -71.68 -55.57 7.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.668 ' CE2' ' CD2' ' A' ' 98' ' ' LEU . 21.2 m-85 -56.46 -16.63 6.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.97 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.455 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 50.8 mt-30 -72.35 -19.56 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.481 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 3.6 pt20 -110.63 -15.47 13.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.481 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 14.0 m-80 -122.48 148.85 44.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.492 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 2.8 m -69.19 147.08 51.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.424 ' N ' HD21 ' A' ' 107' ' ' LEU . 1.3 mm? -78.97 -14.09 59.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -42.18 -35.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -40.36 -41.09 1.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.844 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.1 t -96.94 -33.59 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 112' ' ' LYS . 93.5 m-85 -134.23 82.28 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 111' ' ' PHE . 1.7 ttmm -37.86 -62.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.1 t -41.15 -40.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 25.9 tp -93.79 96.59 9.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.79 66.09 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.452 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 11.6 t -124.1 -174.49 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.492 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 1.5 p -152.24 165.95 33.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.571 HD12 ' CD2' ' A' ' 50' ' ' PHE . 1.6 mm? -73.25 95.45 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.477 ' HG3' ' CA ' ' A' ' 48' ' ' GLY . 8.4 mt-30 -76.34 -72.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -142.53 154.1 62.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.726 . . . . 0.0 110.913 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 168.32 21.88 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.588 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 10.9 p90 -80.56 -35.8 33.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.588 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 18.5 mtmt -70.77 -23.07 62.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.1 tm-20 -32.06 133.01 0.28 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.727 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.149 0 C-N-CA 122.733 2.288 . . . . 0.0 112.358 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.513 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 78.3 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.804 0.335 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 t -59.64 -35.76 75.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.9 m -53.6 -30.71 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.648 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 35.9 m-70 -67.78 159.97 29.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.2 mt -86.89 -33.53 19.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.648 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.4 p-90 -82.27 19.4 1.21 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.454 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 9.5 t80 -113.4 94.89 5.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 31' ' ' GLY . . . -94.56 37.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.55 -151.53 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 107.17 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.486 ' HG2' ' N ' ' A' ' 34' ' ' GLU . 30.1 ttm -140.38 150.67 44.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.486 ' N ' ' HG2' ' A' ' 33' ' ' MET . 50.9 mt-10 -89.15 171.57 9.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.557 ' HD2' ' CE1' ' A' ' 74' ' ' HIS . 4.1 tpp85 -57.22 -65.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . -35.53 -54.92 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.1 -56.18 8.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.95 -33.4 70.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.712 0.291 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -74.17 -20.8 60.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 t -94.16 -24.36 17.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.436 ' CD1' ' HE1' ' A' ' 33' ' ' MET . 45.0 mt -76.24 -58.77 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.489 ' HA ' ' CG ' ' A' ' 45' ' ' ARG . 10.9 mt -72.02 -12.31 61.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.41 -40.76 50.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -95.25 -29.31 14.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.489 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 29.3 mmm180 -48.96 174.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -96.03 139.97 31.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.1 123.35 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.437 ' CA ' ' HG3' ' A' ' 119' ' ' GLN . . . 114.6 -21.71 14.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.7 m -65.57 100.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 111.113 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.584 ' CD2' HD11 ' A' ' 118' ' ' LEU . 23.7 p90 -88.45 155.7 19.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.556 ' HB2' ' CD1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -154.11 130.55 10.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.8 t -94.17 130.01 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.43 ' NH2' ' HD3' ' A' ' 35' ' ' ARG . 24.3 ptt85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.63 139.79 16.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 75' ' ' ILE . 60.4 mt -100.63 122.18 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 8.6 t -119.97 131.38 55.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.483 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -140.09 168.88 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HD2' ' O ' ' A' ' 71' ' ' GLU . 16.2 tptm -90.4 112.07 23.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.53 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 18.0 t80 -139.27 143.79 38.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.606 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 8.4 t-20 50.9 31.08 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.606 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 1.0 OUTLIER 69.08 24.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -136.2 -179.59 5.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.0 t -118.16 92.02 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 65' ' ' SER . 18.8 mmtt -87.74 150.56 23.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.557 ' CE1' ' HD2' ' A' ' 35' ' ' ARG . 7.3 m-70 -120.49 155.12 34.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.604 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 64' ' ' ILE . 3.9 mm -128.62 109.4 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.159 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.09 138.46 37.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 83.5 mt -111.77 104.88 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.7 mtm -89.88 139.82 30.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 p -116.86 138.75 51.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -149.06 129.92 14.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.083 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 63.71 25.44 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.87 16.18 70.85 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.554 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.0 mt -108.91 168.95 8.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -122.94 123.72 41.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.456 ' NE ' ' HB2' ' A' ' 91' ' ' ALA . 18.9 ptt180 -161.39 129.31 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.569 HG12 ' CE2' ' A' ' 102' ' ' TYR . 5.7 pt -69.42 -20.85 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.9 t -136.55 148.31 47.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -77.5 45.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -113.13 -35.42 5.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.503 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 26.0 tptt -156.47 122.0 4.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.456 ' HB2' ' NE ' ' A' ' 85' ' ' ARG . . . -104.11 149.39 25.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.563 ' CE1' HD21 ' A' ' 98' ' ' LEU . 3.4 m-85 -129.41 164.48 23.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 34.9 mmm-85 -58.28 -46.26 86.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -151.14 179.39 27.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.6 mm? -49.45 -61.19 2.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.952 0.406 . . . . 0.0 110.937 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.3 m -33.05 -55.77 0.39 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -63.67 -54.14 40.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.572 ' CD2' ' CE2' ' A' ' 102' ' ' TYR . 1.2 tm? -48.74 -60.86 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.424 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 47.4 t -54.33 -44.5 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -47.41 -42.55 22.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.432 ' O ' ' CG ' ' A' ' 104' ' ' GLN . 27.5 t80 -66.64 -54.72 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.572 ' CE2' ' CD2' ' A' ' 98' ' ' LEU . 22.0 m-85 -60.63 -17.19 45.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.498 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 27.9 mt-30 -73.81 -10.4 59.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.516 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 1.7 pt20 -118.91 -20.17 8.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.516 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 8.8 m-80 -119.95 145.35 46.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.48 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 2.5 t -69.8 132.69 46.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.798 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.3 mp -62.7 -7.6 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -41.89 -30.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -50.74 -44.02 58.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.9 t -86.85 -34.95 19.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 114' ' ' LEU . 99.6 m-85 -134.89 81.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.63 -38.24 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 70.0 m -66.19 -37.04 84.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 111' ' ' PHE . 24.6 tp -98.85 93.91 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -98.31 75.17 2.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.53 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 12.6 t -129.01 169.54 14.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.48 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 3.9 p -138.85 162.07 35.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.584 HD11 ' CD2' ' A' ' 50' ' ' PHE . 2.0 mm? -72.58 91.94 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.437 ' HG3' ' CA ' ' A' ' 48' ' ' GLY . 6.2 mt-30 -72.43 -72.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' PHE . 1.2 m-85 -141.64 153.84 65.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.658 0.742 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 170.49 16.38 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 51' ' ' LEU . 23.1 p90 -81.02 -34.65 32.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.556 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 17.9 mtmt -75.51 -15.19 60.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.937 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 123' ' ' LYS . 1.8 tt0 -38.1 126.55 1.03 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.666 0.746 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.539 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 64.5 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.809 0.338 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.7 p -60.55 -35.35 75.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -57.82 -22.36 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.565 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 29.9 m-70 -74.35 155.49 38.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.7 mt -83.75 -31.96 25.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.565 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 7.9 p-90 -84.6 17.46 2.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.456 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 17.9 t80 -112.48 94.06 4.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.95 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.489 ' HB1' ' CZ ' ' A' ' 122' ' ' PHE . . . -94.34 33.28 1.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.72 -141.44 0.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.531 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 94.36 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.374 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.504 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 19.3 ttp -129.84 135.72 48.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -83.24 160.92 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.55 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 23.4 ttp-105 -47.39 -55.41 8.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.06 -62.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' ILE . . . -43.32 -53.84 5.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.51 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.19 -38.62 73.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.41 ' HA ' ' CG2' ' A' ' 72' ' ' VAL . 19.9 mt-10 -73.01 -27.92 62.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.4 t -93.42 -17.22 23.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.504 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 38.2 mt -84.81 -57.59 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.472 ' HA ' ' CG ' ' A' ' 45' ' ' ARG . 30.7 mt -75.55 -11.95 60.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.44 -56.4 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -80.51 -33.08 36.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.472 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 27.2 mmt180 -42.98 164.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.73 135.63 34.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.99 117.86 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.419 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 122.62 -20.97 7.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 122' ' ' PHE . 10.1 m -64.82 102.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 111.162 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.535 ' CG ' HD12 ' A' ' 118' ' ' LEU . 23.0 p90 -92.63 155.16 17.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.447 ' HB2' ' CD1' ' A' ' 122' ' ' PHE . 0.5 OUTLIER -153.9 132.26 11.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.0 t -105.25 127.36 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.893 0.377 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.419 ' N ' HD11 ' A' ' 77' ' ' ILE . . . -154.91 143.82 20.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 75' ' ' ILE . 64.3 mt -107.06 122.3 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.6 t -128.14 130.41 48.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.495 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -138.49 165.29 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.46 ' HE3' ' C ' ' A' ' 70' ' ' VAL . 24.7 tptt -83.99 115.29 22.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.58 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 17.1 t80 -145.19 142.64 29.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.512 ' O ' HG21 ' A' ' 70' ' ' VAL . 10.1 t-20 51.28 32.25 8.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.552 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 64.72 24.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.196 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.0 pt-20 -142.05 133.49 26.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.41 ' CG2' ' HA ' ' A' ' 39' ' ' GLU . 65.5 t -74.64 98.04 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -82.64 157.5 23.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.55 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 2.9 m-70 -134.38 144.82 48.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.566 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.495 ' CG2' HD12 ' A' ' 86' ' ' ILE . 55.9 mt -127.76 130.71 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.39 140.88 38.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.419 HD11 ' N ' ' A' ' 63' ' ' ALA . 94.5 mt -112.15 131.49 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.1 mtm -107.19 142.1 37.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.1 p -116.76 137.43 52.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.28 126.22 5.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.062 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 65.91 24.98 11.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.77 19.78 64.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mt -112.44 170.35 8.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.932 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -131.43 121.62 24.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.468 ' HD3' ' CA ' ' A' ' 91' ' ' ALA . 13.4 ptt180 -162.03 129.74 4.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.841 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.512 HD11 ' CB ' ' A' ' 110' ' ' CYS . 13.7 pt -69.05 -23.35 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.1 t -131.53 147.49 52.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -78.11 46.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.459 ' HA ' ' CE ' ' A' ' 89' ' ' LYS . 1.9 mmpt? -109.17 -44.36 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.583 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.0 tmtt? -153.2 115.9 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.468 ' CA ' ' HD3' ' A' ' 85' ' ' ARG . . . -93.87 152.07 19.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.583 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 6.6 m-85 -128.68 141.69 51.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' PHE . 11.7 mmp_? -35.62 -48.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.17 179.02 29.05 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.5 mm? -51.33 -62.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.929 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.9 m -32.46 -42.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 5.9 mm-40 -75.71 -58.3 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.58 HD13 ' CD2' ' A' ' 102' ' ' TYR . 2.6 tm? -45.68 -41.78 10.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.6 t -71.39 -41.89 73.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -53.33 -33.03 51.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.532 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 22.6 t80 -73.01 -59.53 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.58 ' CD2' HD13 ' A' ' 98' ' ' LEU . 18.4 m-85 -56.29 -12.02 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.428 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 52.9 mt-30 -73.81 -22.09 59.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.592 ' HG2' ' ND2' ' A' ' 105' ' ' ASN . 4.9 pt20 -115.51 -6.62 12.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.592 ' ND2' ' HG2' ' A' ' 104' ' ' GLN . 0.2 OUTLIER -132.44 118.44 19.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.465 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 1.4 t -50.84 147.41 4.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -70.2 -11.57 60.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.3 pttt -42.14 -40.07 2.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -48.39 -48.3 36.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.512 ' CB ' HD11 ' A' ' 86' ' ' ILE . 3.6 m -84.75 -40.21 17.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 114' ' ' LEU . 95.5 m-85 -134.37 84.28 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -37.72 -64.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.5 t -39.74 -34.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 111' ' ' PHE . 6.3 tp -100.44 92.11 5.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.26 78.86 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.58 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 11.3 t -136.39 179.04 6.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 2.9 p -145.92 149.55 34.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.535 HD12 ' CG ' ' A' ' 50' ' ' PHE . 2.5 mm? -63.83 87.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.419 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 15.7 mt-30 -69.17 -74.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.428 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -140.95 153.74 67.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.661 0.743 . . . . 0.0 110.882 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 162.9 40.28 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.346 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.587 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 14.2 p90 -74.15 -35.08 64.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.587 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 7.7 mtmm -71.81 -23.36 61.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 123' ' ' LYS . 1.9 tm-20 -32.87 131.76 0.33 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.667 0.746 . . . . 0.0 110.888 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.564 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 83.4 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.805 0.336 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.42 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 47.2 t -57.29 -37.17 72.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.6 m -52.97 -31.54 17.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.636 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 19.9 m-70 -64.33 159.05 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.7 mt -85.06 -34.37 22.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.636 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.6 p-90 -82.58 20.59 1.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.475 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 7.7 t80 -113.79 97.01 6.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 122' ' ' PHE . . . -104.98 34.95 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.081 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 36.84 -154.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 91.85 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.361 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.47 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 24.9 ttp -112.43 145.32 40.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 35' ' ' ARG . 51.2 mt-10 -77.6 136.23 38.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.432 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 39.9 ttp180 -36.37 -53.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.67 -52.8 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -48.29 -56.06 9.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.535 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.476 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -56.22 -38.64 71.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.758 0.314 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 72' ' ' VAL . 43.8 mt-10 -69.67 -24.46 63.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.9 t -95.94 -22.76 17.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.47 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 19.4 mt -77.88 -55.48 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.2 mt -75.29 -10.41 59.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.52 -47.12 66.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -88.21 -31.56 19.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.4 mmp_? -49.64 173.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.3 137.77 32.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -39.41 125.14 1.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.436 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 114.81 -20.52 14.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.421 ' CG2' ' HA ' ' A' ' 122' ' ' PHE . 12.3 m -65.02 101.34 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 111.166 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.584 ' CD2' HD11 ' A' ' 118' ' ' LEU . 24.0 p90 -91.9 153.31 19.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.476 HD21 ' CB ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -150.26 125.91 10.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.4 ' CG2' HG12 ' A' ' 64' ' ' ILE . 10.1 t -96.61 126.7 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 35' ' ' ARG . 35.8 ptt85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.4 ' N ' HD12 ' A' ' 77' ' ' ILE . . . -155.45 129.6 8.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.04 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.4 HG12 ' CG2' ' A' ' 52' ' ' VAL . 54.7 mt -97.58 112.43 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 22.8 m -109.92 123.79 50.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.487 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -132.26 165.49 31.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -91.48 114.89 27.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.486 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 14.0 t80 -145.53 143.0 29.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.528 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 3.7 t-20 50.89 33.92 9.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.53 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.9 OUTLIER 65.25 24.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.453 ' OE2' ' NZ ' ' A' ' 73' ' ' LYS . 5.2 pt-20 -143.92 144.79 31.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 39' ' ' GLU . 86.8 t -85.02 96.63 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' NZ ' ' OE2' ' A' ' 71' ' ' GLU . 25.9 mmtt -82.88 145.04 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -113.8 150.02 34.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.619 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.471 ' CG2' HD11 ' A' ' 86' ' ' ILE . 9.5 mm -126.06 95.88 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -50.52 124.2 10.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 63' ' ' ALA . 66.4 mt -101.5 124.08 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.8 mtm -104.47 140.99 37.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 p -115.77 130.11 56.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.4 121.54 11.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.06 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 64.75 25.08 12.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.23 -10.48 74.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.5 mt -84.38 150.67 25.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.505 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 46.2 m-85 -112.23 125.26 53.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.484 ' HD3' ' CB ' ' A' ' 91' ' ' ALA . 10.5 ptt180 -162.22 134.22 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.471 HD11 ' CG2' ' A' ' 75' ' ' ILE . 3.8 pt -75.39 -19.76 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.403 ' C ' ' H ' ' A' ' 89' ' ' LYS . 7.4 t -136.87 147.66 46.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -76.94 43.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 87' ' ' THR . 30.9 mtpt -113.05 -36.77 4.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.47 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 20.8 tptt -151.38 125.9 9.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.484 ' CB ' ' HD3' ' A' ' 85' ' ' ARG . . . -109.9 152.14 26.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.588 ' CE1' HD23 ' A' ' 98' ' ' LEU . 4.5 m-85 -132.85 157.4 45.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -50.91 -44.27 60.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -155.71 178.44 32.29 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.505 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.0 mm? -50.69 -64.58 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.887 0.375 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.4 m -32.01 -44.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -75.54 -61.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.593 HD21 ' CE2' ' A' ' 102' ' ' TYR . 2.3 tm? -43.35 -41.87 4.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.457 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 52.1 t -70.44 -40.84 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -51.72 -36.96 48.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.548 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 30.1 t80 -69.8 -57.77 4.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.593 ' CE2' HD21 ' A' ' 98' ' ' LEU . 16.3 m-85 -55.19 -17.82 4.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.493 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 75.5 mt-30 -72.31 -14.61 61.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.517 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.6 pt20 -118.35 -9.07 10.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -132.73 137.92 47.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.482 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 8.2 t -59.61 142.52 52.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.463 ' CD2' HD11 ' A' ' 86' ' ' ILE . 1.9 mt -70.55 -10.9 60.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.0 pttp -41.28 -33.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -40.9 -40.93 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 9.0 t -103.6 -30.8 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 114' ' ' LEU . 76.8 m-85 -128.98 74.47 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' PHE . 17.7 tptt -36.66 -56.17 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.3 t -49.68 -38.22 31.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 111' ' ' PHE . 16.7 tp -95.53 97.75 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -103.07 71.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.486 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 13.9 t -125.61 176.44 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.482 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 17.7 p -145.06 153.54 41.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.584 HD11 ' CD2' ' A' ' 50' ' ' PHE . 2.6 mm? -63.47 102.44 0.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.436 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 10.6 mt-30 -83.63 -73.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.445 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -142.87 153.85 61.45 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.64 0.733 . . . . 0.0 110.906 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 164.32 34.98 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.59 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 9.2 p90 -77.8 -32.82 52.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.59 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 12.8 mtmt -74.1 -20.75 60.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.6 tt0 -34.26 128.27 0.46 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.651 0.738 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.567 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 28.8 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 m -57.99 -36.8 73.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.1 m -56.38 -16.64 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 31.9 m-70 -82.49 160.18 22.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.0 mt -87.95 -35.13 17.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.511 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.2 p-90 -82.31 19.51 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 23' ' ' LEU . 18.3 t80 -112.82 96.02 5.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.454 ' CB ' ' HE2' ' A' ' 33' ' ' MET . . . -100.95 35.62 2.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 36.46 -153.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 90.67 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.454 ' HE2' ' CB ' ' A' ' 30' ' ' ALA . 32.0 ttp -119.49 134.22 55.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -66.12 172.84 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.558 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 28.8 ttp180 -64.78 -57.31 9.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.26 -54.4 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -46.63 -59.98 5.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.25 -37.4 72.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.335 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.94 -26.33 65.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 t -93.46 -25.8 17.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.449 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 24.9 mt -73.48 -54.03 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.426 ' HA ' ' CG ' ' A' ' 45' ' ' ARG . 19.5 mt -75.43 -15.63 60.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.53 -48.38 38.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -86.19 -31.88 21.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.426 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 5.1 mmp_? -46.3 173.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.1 m -94.74 132.32 39.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 46' ' ' SER . 50.7 m-20 -34.39 121.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.446 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 117.29 -20.29 11.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.9 m -64.94 110.26 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 111.121 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.603 ' CD2' HD13 ' A' ' 118' ' ' LEU . 29.2 p90 -99.07 151.49 20.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.5 ' HB2' ' CD1' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -149.82 130.11 13.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.448 HG22 ' CE3' ' A' ' 28' ' ' TRP . 21.1 t -94.92 122.41 46.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.2 ptt85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.936 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 . . . . . 0 CA--C 1.526 0.048 0 CA-C-O 120.927 0.394 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.481 ' N ' HD12 ' A' ' 77' ' ' ILE . . . -157.95 130.45 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.466 ' HB ' ' HB ' ' A' ' 75' ' ' ILE . 8.7 mt -97.54 105.6 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.3 t -110.25 130.21 55.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.484 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -134.78 168.61 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.159 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -91.38 113.49 25.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.567 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 17.4 t80 -143.77 145.84 32.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.51 ' O ' HG23 ' A' ' 70' ' ' VAL . 4.6 t-20 51.3 32.75 8.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.571 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 64.44 25.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -143.42 138.6 29.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.3 t -79.84 97.32 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -82.84 150.14 26.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.558 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 34.4 m-70 -115.08 143.7 44.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.582 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.493 ' CG2' HG22 ' A' ' 86' ' ' ILE . 28.9 mm -122.68 95.56 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.426 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 1.2 pttm -55.92 138.26 48.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.481 HD12 ' N ' ' A' ' 63' ' ' ALA . 80.0 mt -116.63 137.83 49.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.467 ' N ' HG21 ' A' ' 77' ' ' ILE . 28.4 mtm -114.68 139.96 49.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.408 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.1 p -112.07 135.07 53.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -155.15 128.49 8.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 65.2 25.06 12.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.57 14.94 77.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mt -109.84 167.94 9.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.408 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 77.7 m-85 -127.93 120.03 26.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.473 ' NE ' ' HB2' ' A' ' 91' ' ' ALA . 15.5 ptt180 -162.0 138.02 7.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.493 HG22 ' CG2' ' A' ' 75' ' ' ILE . 7.1 pt -77.1 -21.45 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.409 ' HG1' ' N ' ' A' ' 88' ' ' GLU . 5.1 t -133.03 148.09 52.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.409 ' N ' ' HG1' ' A' ' 87' ' ' THR . 0.4 OUTLIER -79.89 43.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -108.73 -40.25 5.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.588 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 2.4 tmtm? -155.78 113.22 3.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.473 ' HB2' ' NE ' ' A' ' 85' ' ' ARG . . . -95.07 154.99 16.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.103 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.588 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 4.6 m-85 -129.75 145.95 51.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -41.62 -45.36 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.99 177.2 30.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.6 mm? -50.72 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.0 m -32.62 -40.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.439 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 31.1 mm-40 -76.87 -58.94 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.587 HD22 ' CE2' ' A' ' 102' ' ' TYR . 1.9 tm? -47.23 -35.68 7.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.424 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 58.7 t -76.26 -38.57 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -53.26 -37.73 62.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.549 ' CD2' ' OD1' ' A' ' 105' ' ' ASN . 31.0 t80 -67.46 -58.88 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.587 ' CE2' HD22 ' A' ' 98' ' ' LEU . 19.2 m-85 -55.63 -19.81 11.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.492 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 55.8 mt-30 -70.32 -15.37 62.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.514 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 0.8 OUTLIER -116.7 -11.76 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.549 ' OD1' ' CD2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -133.14 138.2 46.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.474 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 34.9 m -64.99 138.4 58.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.02 -5.1 5.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 32.7 pttt -41.26 -45.74 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 24.6 m-20 -42.13 -47.9 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.9 m -83.31 -34.03 25.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.489 ' CE2' HD13 ' A' ' 75' ' ' ILE . 72.2 m-85 -134.95 82.59 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -43.02 -34.37 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.5 t -69.32 -36.31 76.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 111' ' ' PHE . 28.5 tp -101.72 96.46 7.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -102.27 74.5 1.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.567 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 12.7 t -133.12 -179.78 5.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.474 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 16.7 p -143.83 161.12 39.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.603 HD13 ' CD2' ' A' ' 50' ' ' PHE . 1.9 mm? -70.6 92.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.446 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.9 mt-30 -71.05 -74.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -142.15 153.58 63.53 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.629 0.728 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 160.96 47.76 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.264 . . . . 0.0 112.339 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.576 ' CE1' ' HG3' ' A' ' 123' ' ' LYS . 8.4 p90 -74.28 -35.66 63.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.576 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 23.6 mttm -69.5 -24.99 63.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.6 tm-20 -32.72 132.63 0.31 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.613 0.72 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.168 0 C-N-CA 122.659 2.239 . . . . 0.0 112.369 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.543 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 70.3 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.804 0.335 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.3 t -61.43 -36.06 79.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.0 m -54.01 -24.59 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.543 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 34.5 m-70 -72.58 163.67 27.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.4 mt -90.86 -31.79 16.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.525 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.5 p-90 -85.15 18.16 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 23' ' ' LEU . 9.8 t80 -110.74 96.46 6.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 122' ' ' PHE . . . -103.21 27.29 7.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 42.47 -149.95 0.4 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 98.46 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.737 2.291 . . . . 0.0 112.32 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.471 ' HE2' ' CD1' ' A' ' 41' ' ' ILE . 11.3 ttm -124.82 135.67 53.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -71.74 155.01 40.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.557 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 53.4 ttt180 -48.47 -44.28 35.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.25 -63.75 1.02 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.39 -55.78 2.48 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.7 -42.51 75.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.42 ' HA ' ' CG2' ' A' ' 72' ' ' VAL . 20.0 mt-10 -69.07 -24.71 64.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.2 t -93.91 -21.11 19.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.471 ' CD1' ' HE2' ' A' ' 33' ' ' MET . 65.6 mt -84.31 -58.1 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.442 ' HA ' ' CG ' ' A' ' 45' ' ' ARG . 41.5 mt -73.82 -13.83 61.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.18 -59.9 2.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.072 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -76.62 -34.35 58.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.442 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 16.5 mmt180 -42.6 161.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -82.69 135.23 35.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -38.13 119.15 0.76 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.429 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 120.76 -20.06 8.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.442 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.3 m -65.1 100.16 0.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.801 0.334 . . . . 0.0 111.117 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.524 ' CG ' HD11 ' A' ' 118' ' ' LEU . 24.2 p90 -89.4 152.94 21.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.549 ' CD1' ' C ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -149.53 124.94 10.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.445 ' CG2' HG12 ' A' ' 64' ' ' ILE . 5.4 t -95.23 124.57 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.413 ' NH2' ' HA ' ' A' ' 35' ' ' ARG . 36.4 ptt85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.883 0.373 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.78 130.47 7.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.445 HG12 ' CG2' ' A' ' 52' ' ' VAL . 46.3 mt -101.99 118.74 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.1 m -120.34 131.51 54.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.476 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -134.39 163.33 37.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.455 ' CE ' ' HA ' ' A' ' 70' ' ' VAL . 24.5 tptt -84.61 115.27 22.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.575 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 14.0 t80 -144.93 139.99 27.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.519 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 17.3 t30 51.63 32.0 8.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.526 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.9 OUTLIER 65.08 25.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -141.55 132.05 25.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.42 ' CG2' ' HA ' ' A' ' 39' ' ' GLU . 58.0 t -76.26 99.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -83.45 156.88 22.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.557 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 42.2 m-70 -121.56 144.42 48.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.568 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.501 ' CG2' HD13 ' A' ' 86' ' ' ILE . 3.6 mm -123.37 100.22 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.1 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -57.75 125.16 21.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.5 mt -104.14 125.0 58.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 13.4 mtm -103.6 140.87 36.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.2 p -117.34 134.23 55.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.25 118.12 9.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 66.26 25.01 10.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.98 -13.43 67.71 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.8 mt -78.8 155.47 29.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.544 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 77.4 m-85 -117.52 122.32 43.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.401 ' NH1' ' HB1' ' A' ' 91' ' ' ALA . 15.2 ptt180 -161.88 131.47 4.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.501 HD13 ' CG2' ' A' ' 75' ' ' ILE . 21.1 pt -70.68 -19.63 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.8 t -140.06 153.41 46.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -79.64 45.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -112.66 -40.09 4.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.478 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 32.0 tptt -149.44 120.6 7.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.401 ' HB1' ' NH1' ' A' ' 85' ' ' ARG . . . -105.05 148.55 26.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.509 ' CD1' HD21 ' A' ' 98' ' ' LEU . 10.2 m-85 -129.78 158.93 38.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -53.7 -44.37 69.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.39 177.96 31.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.544 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 1.8 mm? -53.56 -55.53 24.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.6 m -32.7 -46.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -75.59 -62.0 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.509 HD21 ' CD1' ' A' ' 92' ' ' PHE . 1.8 tm? -39.19 -47.72 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.438 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 61.9 t -68.75 -45.18 81.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -53.1 -42.75 66.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 104' ' ' GLN . 29.6 t80 -64.57 -45.64 86.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.49 ' HB3' ' CD2' ' A' ' 118' ' ' LEU . 9.5 m-85 -66.77 -23.28 66.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.472 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 71.8 mt-30 -65.59 -11.97 48.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.547 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 4.5 pt20 -117.01 -18.3 10.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.547 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 19.5 m-80 -120.21 142.23 49.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.0 t -67.94 136.98 54.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.449 ' N ' HD21 ' A' ' 107' ' ' LEU . 1.2 mm? -68.34 -11.57 59.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 51.9 pttt -43.12 -44.58 5.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.463 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 1.0 OUTLIER -37.45 -48.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.436 ' SG ' ' CD1' ' A' ' 86' ' ' ILE . 3.6 m -84.25 -34.26 23.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -134.94 84.48 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.77 -39.67 5.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.6 m -64.57 -31.62 72.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.8 tp -103.42 96.11 6.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.72 73.7 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.575 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 10.4 t -134.6 170.62 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.8 p -136.41 166.18 24.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.524 HD11 ' CG ' ' A' ' 50' ' ' PHE . 2.7 mm? -75.85 86.45 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.429 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.3 mt-30 -66.89 -73.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.459 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 1.0 OUTLIER -142.94 155.19 62.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.74 . . . . 0.0 110.893 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 168.86 20.42 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.638 2.225 . . . . 0.0 112.349 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.6 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 11.4 p90 -81.09 -35.57 31.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.6 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 15.3 mtmt -71.35 -21.42 62.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.8 tt0 -33.56 128.56 0.41 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.153 0 C-N-CA 122.696 2.264 . . . . 0.0 112.314 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.575 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 83.2 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.81 0.338 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 t -62.38 -35.19 78.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -55.4 -22.67 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.61 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 29.4 m-70 -74.69 158.61 33.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.5 mt -87.32 -30.65 20.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.2 p-90 -85.4 18.17 2.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.472 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 14.2 t80 -111.15 94.67 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.465 ' CB ' ' HE2' ' A' ' 33' ' ' MET . . . -101.47 36.68 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 33.79 -151.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.553 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 92.94 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.735 2.29 . . . . 0.0 112.338 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.465 ' HE2' ' CB ' ' A' ' 30' ' ' ALA . 26.4 ttp -118.25 135.57 54.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.9 162.29 26.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.444 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 24.9 ttp180 -58.25 -54.37 47.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.63 -46.15 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.77 -63.97 4.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.542 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.72 -34.1 11.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 111.144 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -77.49 -25.48 50.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.8 t -90.67 -21.37 21.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.823 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.3 mt -84.06 -61.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.459 ' HA ' ' HB2' ' A' ' 45' ' ' ARG . 15.4 mt -76.2 0.96 17.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -36.23 -71.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -116.13 19.92 14.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.459 ' HB2' ' HA ' ' A' ' 42' ' ' LEU . 4.6 mmt180 -54.25 -77.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -177.64 114.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.8 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' SER . 4.8 p-10 -35.05 107.5 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.474 ' CA ' ' HG3' ' A' ' 119' ' ' GLN . . . 120.58 -11.75 10.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.517 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.4 m -64.96 99.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 111.106 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.573 ' CD2' HD11 ' A' ' 118' ' ' LEU . 20.3 p90 -91.49 148.84 22.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.457 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -150.55 131.24 14.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.59 140.23 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 9.1 ptt-85 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.459 ' O ' ' NH1' ' A' ' 53' ' ' ARG . . . -149.89 127.92 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.427 ' O ' ' CG1' ' A' ' 75' ' ' ILE . 15.5 mt -99.76 112.43 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 2.4 t -114.17 129.74 56.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.786 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.482 HG23 ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -133.21 160.33 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.14 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.457 ' HE3' ' C ' ' A' ' 70' ' ' VAL . 27.1 tptt -86.93 115.27 24.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.432 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 23.4 t80 -145.1 144.8 31.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.511 ' O ' HG22 ' A' ' 70' ' ' VAL . 5.5 t30 51.61 31.36 7.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.555 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 66.06 25.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.448 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 3.8 pt-20 -144.35 130.12 19.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.2 t -74.73 98.66 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -82.84 150.83 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.517 ' ND1' ' NH2' ' A' ' 53' ' ' ARG . 55.4 m-70 -114.79 146.48 40.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.437 HG23 ' CG2' ' A' ' 86' ' ' ILE . 3.2 mm -124.54 112.52 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.141 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -70.99 123.96 23.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.2 mt -99.26 126.04 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.3 mtm -103.69 139.31 39.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.474 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.2 p -114.85 130.64 56.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.122 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -147.64 122.32 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 64.35 25.25 13.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.49 -11.22 70.66 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.429 HD22 ' C ' ' A' ' 92' ' ' PHE . 4.8 mt -87.37 145.87 26.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.792 0.329 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.474 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 34.7 m-85 -110.18 129.92 55.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -162.2 129.89 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.437 ' CG2' HG23 ' A' ' 75' ' ' ILE . 4.7 pt -71.25 -17.59 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.7 t -140.59 152.56 45.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -78.61 45.41 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.84 -43.32 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 25.5 tptt -153.66 127.48 8.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -105.64 154.41 20.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.081 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.541 ' CE1' HD21 ' A' ' 98' ' ' LEU . 7.2 m-85 -134.58 153.39 51.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -47.6 -47.33 28.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.35 -177.93 23.06 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.523 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.3 mm? -57.47 -58.36 8.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.4 m -33.16 -47.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -72.4 -58.1 3.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.648 ' CD2' ' CE2' ' A' ' 102' ' ' TYR . 1.5 tm? -43.63 -54.5 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.1 t -60.0 -45.1 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.61 -42.69 62.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.48 ' O ' ' CG ' ' A' ' 104' ' ' GLN . 38.0 t80 -65.52 -49.34 69.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.648 ' CE2' ' CD2' ' A' ' 98' ' ' LEU . 12.6 m-85 -63.26 -21.06 66.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.478 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 69.9 mt-30 -69.57 -9.21 53.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.489 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 1.5 pt20 -119.04 -16.99 9.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.489 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 9.7 m-80 -123.07 146.0 48.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.479 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 3.4 m -65.91 144.7 56.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.472 ' N ' HD21 ' A' ' 107' ' ' LEU . 0.5 OUTLIER -76.31 -11.98 60.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.927 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -41.73 -35.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -40.03 -42.15 1.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.0 t -94.95 -30.63 14.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' LEU . 93.2 m-85 -134.94 80.94 1.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 113' ' ' SER . 1.2 pmtp? -41.26 -34.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.45 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 41.5 t -68.0 -39.02 83.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 111' ' ' PHE . 26.4 tp -96.36 96.96 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.963 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.85 69.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.432 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 10.2 t -125.58 -174.73 3.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.158 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.479 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 2.8 p -153.05 158.88 42.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.573 HD11 ' CD2' ' A' ' 50' ' ' PHE . 2.3 mm? -66.19 99.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.474 ' HG3' ' CA ' ' A' ' 48' ' ' GLY . 8.8 mt-30 -80.48 -71.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.454 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -141.25 153.88 66.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 110.904 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 177.7 5.34 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.721 2.281 . . . . 0.0 112.367 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.586 ' CE1' ' HG3' ' A' ' 123' ' ' LYS . 5.1 p90 -92.2 -40.03 11.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.586 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 25.8 mttt -65.68 -21.8 66.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.1 tt0 -32.76 128.6 0.36 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.157 0 C-N-CA 122.698 2.266 . . . . 0.0 112.394 179.954 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.501 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 46.8 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.797 0.332 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.7 p -58.93 -36.03 74.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.413 HG22 ' N ' ' A' ' 26' ' ' HIS . 15.6 m -55.31 -20.3 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.781 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 29.7 m-70 -75.49 159.42 31.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.2 mt -87.45 -32.59 19.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.781 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.0 p-90 -82.06 11.8 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -107.8 94.76 5.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 122' ' ' PHE . . . -94.49 30.52 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.071 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.31 -147.4 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 81.37 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.49 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 24.9 ttp -111.17 136.18 50.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -75.81 141.93 42.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -39.15 -54.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.37 -51.33 6.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.02 -45.91 56.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.486 ' HB2' ' CD2' ' A' ' 51' ' ' LEU . . . -65.49 -36.05 82.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.728 0.299 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -72.89 -23.62 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.4 t -95.7 -24.4 16.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.49 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 23.5 mt -76.33 -55.56 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.458 ' HA ' ' CG ' ' A' ' 45' ' ' ARG . 21.9 mt -70.56 -16.83 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.44 -53.23 11.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 45' ' ' ARG . 57.9 m-80 -81.95 -32.82 30.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.458 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 17.2 mmp_? -46.01 172.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -95.13 135.12 37.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' SER . 66.3 m-20 -35.77 124.48 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.483 ' CA ' ' HG3' ' A' ' 119' ' ' GLN . . . 113.21 -20.34 19.17 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.481 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.6 m -64.94 102.07 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.343 . . . . 0.0 111.133 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.536 ' CG ' HD12 ' A' ' 118' ' ' LEU . 23.0 p90 -90.99 152.97 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.564 ' CD1' ' C ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -150.15 130.2 13.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.4 t -96.16 130.9 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.92 0.391 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.18 151.39 29.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.465 ' CD1' HD13 ' A' ' 77' ' ' ILE . 14.1 mt -121.15 106.54 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 46.5 m -104.67 129.82 52.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.483 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -134.04 164.09 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -87.61 114.56 24.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.495 ' CD2' ' OG1' ' A' ' 116' ' ' THR . 15.3 t80 -145.25 143.64 30.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.527 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.1 OUTLIER 51.32 32.65 8.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.529 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.9 OUTLIER 65.25 25.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.8 pt-20 -143.83 143.2 31.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 98.1 t -82.9 97.33 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 65' ' ' SER . 28.4 mmtt -82.9 144.8 29.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -107.11 148.45 28.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.615 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.429 HG22 ' CG2' ' A' ' 86' ' ' ILE . 4.7 mm -126.91 101.95 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.161 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -63.35 122.67 16.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.465 HD13 ' CD1' ' A' ' 64' ' ' ILE . 86.3 mt -99.85 123.5 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.1 mtm -99.85 141.43 32.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 p -118.83 132.34 56.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.108 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.06 122.91 11.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.08 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 64.2 25.08 13.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.54 -10.71 73.74 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.4 mt -82.81 153.26 25.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.592 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 33.1 m-85 -115.51 124.39 50.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.441 ' HD3' ' CB ' ' A' ' 91' ' ' ALA . 30.9 ptt85 -161.87 130.73 4.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.491 HG12 ' CE2' ' A' ' 102' ' ' TYR . 6.0 pt -72.63 -17.53 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.2 t -141.43 154.87 45.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -81.32 49.03 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -112.87 -40.52 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 24.9 tptt -158.01 119.76 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.441 ' CB ' ' HD3' ' A' ' 85' ' ' ARG . . . -100.37 151.69 21.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.526 ' CE1' HD21 ' A' ' 98' ' ' LEU . 3.9 m-85 -130.86 157.78 41.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -46.48 -46.67 19.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.19 -179.54 32.19 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.456 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.592 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.3 mm? -48.14 -60.66 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 95' ' ' LEU . 3.5 m -32.7 -55.49 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.402 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 57.9 mm-40 -64.33 -58.95 5.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.568 ' CD2' ' CE2' ' A' ' 102' ' ' TYR . 2.5 tm? -47.09 -62.91 1.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 69.1 t -49.79 -42.14 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.412 ' HA ' ' NE2' ' A' ' 103' ' ' GLN . 3.3 mt-10 -58.38 -34.38 70.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.55 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 39.0 t80 -71.76 -56.64 5.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.568 ' CE2' ' CD2' ' A' ' 98' ' ' LEU . 18.0 m-85 -55.87 -13.14 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 118' ' ' LEU . 37.0 mt-30 -76.44 -17.5 59.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.585 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 4.5 pt20 -115.24 -9.24 12.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.585 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 0.1 OUTLIER -130.28 140.03 50.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.492 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 16.7 m -56.68 150.98 14.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 107' ' ' LEU . 1.4 mm? -83.42 -15.7 48.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 110' ' ' CYS . 43.2 pttt -41.83 -36.95 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 108' ' ' LYS . 12.7 t0 -35.34 -33.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.466 ' N ' ' O ' ' A' ' 108' ' ' LYS . 12.9 t -108.41 -31.97 7.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 114' ' ' LEU . 92.8 m-85 -129.43 80.24 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 113' ' ' SER . 2.1 pptp? -42.35 -38.57 1.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.465 ' N ' ' HD2' ' A' ' 112' ' ' LYS . 22.5 t -64.71 -36.58 84.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 111' ' ' PHE . 32.8 tp -99.48 96.47 7.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -99.37 67.68 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.495 ' OG1' ' CD2' ' A' ' 68' ' ' TYR . 5.9 t -125.93 -179.77 4.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.492 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 2.8 p -144.34 175.12 10.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.536 HD12 ' CG ' ' A' ' 50' ' ' PHE . 2.9 mm? -83.73 98.2 9.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.483 ' HG3' ' CA ' ' A' ' 48' ' ' GLY . 5.9 mt-30 -77.24 -73.03 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.47 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -143.78 154.96 59.69 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.668 0.747 . . . . 0.0 110.899 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 170.89 15.52 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.377 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.567 ' CE1' ' HG3' ' A' ' 123' ' ' LYS . 7.1 p90 -82.48 -41.76 19.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 17.1 mtmt -63.05 -25.64 68.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.0 tt0 -32.66 128.01 0.36 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.335 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.511 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 45.8 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.824 0.345 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.0 t -56.34 -37.2 69.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.4 m -53.82 -28.38 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.792 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 30.4 m-70 -68.31 161.59 27.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.5 mt -89.28 -33.38 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.792 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 4.9 p-90 -81.82 19.07 1.14 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.469 ' CE1' HD11 ' A' ' 23' ' ' LEU . 7.8 t80 -114.92 95.59 5.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.462 ' CB ' ' HE3' ' A' ' 33' ' ' MET . . . -94.73 39.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.111 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.08 -150.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 94.73 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.358 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.503 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 33.8 ttp -127.22 144.16 51.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -81.64 172.37 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.563 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 44.5 ttp180 -62.32 -57.95 9.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.75 -50.05 4.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -50.7 -56.94 11.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.48 -40.13 77.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.73 0.3 . . . . 0.0 111.071 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.406 ' HA ' ' CG2' ' A' ' 72' ' ' VAL . 21.0 mt-10 -66.78 -24.21 66.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.7 t -94.33 -24.18 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.503 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 40.5 mt -76.3 -52.37 17.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.442 ' HA ' ' CG ' ' A' ' 45' ' ' ARG . 20.2 mt -75.77 -11.02 59.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.6 -50.06 44.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -85.16 -31.27 23.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.442 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 85.9 mmt-85 -46.81 172.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.1 m -96.21 137.07 35.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -37.9 123.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.454 ' CA ' ' HG3' ' A' ' 119' ' ' GLN . . . 113.87 -20.26 17.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.523 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.4 m -65.26 99.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.848 0.356 . . . . 0.0 111.134 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.513 ' CG ' HD13 ' A' ' 118' ' ' LEU . 26.1 p90 -88.32 153.51 21.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.552 ' CD1' ' C ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -153.38 128.6 9.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.453 ' CG2' HG12 ' A' ' 64' ' ' ILE . 12.0 t -94.41 130.74 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.5 ptt85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.942 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.893 0.378 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.448 ' N ' HD11 ' A' ' 77' ' ' ILE . . . -156.73 134.93 11.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.055 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.453 HG12 ' CG2' ' A' ' 52' ' ' VAL . 20.1 mt -105.5 111.74 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.9 m -108.83 131.91 54.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.501 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -134.73 169.1 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -92.28 115.76 28.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.584 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 10.5 t80 -144.65 142.3 30.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.519 ' O ' HG22 ' A' ' 70' ' ' VAL . 8.2 t-20 50.83 34.06 9.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.531 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.9 OUTLIER 64.87 24.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -142.23 140.89 32.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 39' ' ' GLU . 96.5 t -82.68 97.63 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -83.16 152.41 25.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.563 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 50.6 m-70 -113.97 148.19 37.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.598 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.486 ' CG2' HD12 ' A' ' 86' ' ' ILE . 4.5 mm -122.5 101.84 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.113 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -62.9 123.32 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.448 HD11 ' N ' ' A' ' 63' ' ' ALA . 81.5 mt -100.4 131.8 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.7 mtm -111.73 139.13 47.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.465 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.2 p -109.29 129.34 55.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.74 129.77 18.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 62.96 25.33 15.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.01 1.27 89.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.495 ' CD1' ' HB1' ' A' ' 91' ' ' ALA . 7.8 mt -100.85 163.8 12.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.465 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 97.2 m-85 -115.41 127.02 55.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.469 ' HD3' ' CB ' ' A' ' 91' ' ' ALA . 8.6 ptt180 -163.48 125.64 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.488 HD11 ' CB ' ' A' ' 110' ' ' CYS . 11.7 pt -67.78 -21.03 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.456 ' CG2' ' SG ' ' A' ' 110' ' ' CYS . 6.4 t -132.19 147.37 52.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -77.91 44.84 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.85 -36.2 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.614 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -155.72 130.37 9.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.495 ' HB1' ' CD1' ' A' ' 83' ' ' LEU . . . -115.31 142.88 46.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.614 ' CZ ' ' HG2' ' A' ' 90' ' ' LYS . 1.2 m-85 -122.05 169.54 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -59.19 -55.81 30.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.23 174.45 23.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.1 mm? -46.21 -55.58 6.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 95' ' ' LEU . 3.3 m -32.94 -47.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -75.95 -61.08 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.569 HD23 ' CE1' ' A' ' 92' ' ' PHE . 1.7 tm? -38.5 -46.71 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.41 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 31.3 t -70.09 -44.14 78.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -52.13 -36.78 52.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.547 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 35.3 t80 -71.32 -57.6 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.551 ' CE2' ' CD2' ' A' ' 98' ' ' LEU . 19.8 m-85 -56.22 -12.89 1.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.486 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 61.5 mt-30 -76.39 -19.82 57.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.53 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 1.4 pt20 -110.55 -15.98 13.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -123.63 129.4 51.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.485 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 48.2 t -51.9 141.05 18.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 1.3 mm? -74.01 -14.74 61.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 18.5 pttp -42.29 -49.04 5.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.466 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 32.9 t0 -34.34 -42.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.488 ' CB ' HD11 ' A' ' 86' ' ' ILE . 3.8 m -90.05 -33.28 16.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 108' ' ' LYS . 83.0 m-85 -135.0 81.74 1.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -42.86 -37.13 1.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 81.1 p -67.2 -35.42 79.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.455 ' CD2' HD12 ' A' ' 75' ' ' ILE . 15.3 tp -101.42 96.4 7.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.22 74.41 1.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.584 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 7.9 t -136.42 167.37 21.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.485 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 0.8 OUTLIER -134.62 151.96 51.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.513 HD13 ' CG ' ' A' ' 50' ' ' PHE . 2.7 mm? -60.62 87.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.454 ' HG3' ' CA ' ' A' ' 48' ' ' GLY . 7.4 mt-30 -68.13 -73.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.441 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -143.7 155.18 59.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.657 0.741 . . . . 0.0 110.853 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 174.6 9.26 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.313 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.546 ' CE1' ' HG3' ' A' ' 123' ' ' LYS . 9.3 p90 -90.86 -41.47 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.831 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.546 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 23.9 mttt -61.32 -24.88 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.4 tt0 -31.81 127.16 0.33 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.145 0 C-N-CA 122.738 2.292 . . . . 0.0 112.348 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -147.37 141.61 26.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 p -92.31 161.43 14.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.96 164.71 28.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -131.56 114.39 14.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.371 . . . . 0.0 110.837 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 t -153.06 140.32 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.19 153.59 5.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.77 142.92 26.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.321 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.08 174.17 6.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.082 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.5 177.42 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.2 136.97 32.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.065 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -119.5 89.91 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -140.86 109.44 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -74.44 96.34 2.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.569 ' O ' ' CG ' ' A' ' 15' ' ' TRP . 5.8 t-105 -115.02 0.34 13.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 16.6 t-105 -88.24 173.82 8.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 18' ' ' GLY . 15.0 pt-20 -79.04 43.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.33 144.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.62 18.51 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.0 Cg_endo -69.85 -170.28 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' PRO . 4.6 pt20 -35.9 131.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.949 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -83.85 89.29 7.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -49.62 -19.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.9 p -59.65 -32.58 70.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 26' ' ' HIS . 16.5 m -54.38 -21.94 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.611 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 24.7 m-70 -75.23 159.5 31.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.5 mt -86.26 -32.01 21.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.611 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.1 p-90 -84.86 18.58 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -111.97 95.45 5.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.551 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -101.69 35.85 2.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 34.25 -151.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 88.55 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.362 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.509 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 29.2 ttp -112.54 140.04 47.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -78.18 149.1 33.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 36' ' ' ALA . 32.7 ttp180 -41.49 -61.37 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . -35.03 -58.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.67 -62.45 3.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.76 -33.91 50.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.708 0.289 . . . . 0.0 111.05 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.463 ' HA ' ' CG2' ' A' ' 72' ' ' VAL . 59.3 mt-10 -75.22 -27.09 59.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.7 t -94.37 -17.94 22.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.509 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 16.8 mt -81.36 -54.49 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.2 mt -78.14 -13.05 60.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.56 -47.7 57.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -87.15 -31.52 20.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -48.22 177.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -98.07 137.1 37.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.793 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -37.44 127.82 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.426 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 111.75 -20.3 22.54 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.4 m -65.23 104.52 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 111.128 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CD2' HD12 ' A' ' 118' ' ' LEU . 22.6 p90 -94.96 154.96 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.538 ' HB2' ' CD1' ' A' ' 122' ' ' PHE . 0.5 OUTLIER -153.21 129.68 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.0 t -99.93 128.68 51.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.0 ptt85 -132.17 168.49 17.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 57' ' ' LYS . 3.7 tt0 -109.16 177.56 4.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 56' ' ' VAL . 21.5 mmt180 -96.14 67.09 2.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 55' ' ' ARG . 22.1 t 33.67 47.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.489 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 23.8 mttp -160.67 159.82 30.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.02 131.23 44.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 38.51 39.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.51 -177.07 5.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -57.32 102.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -62.66 155.11 27.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.37 136.44 21.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.059 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.472 HG13 ' CD1' ' A' ' 77' ' ' ILE . 59.3 mt -103.99 124.06 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 9.3 t -127.81 131.67 49.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.476 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -137.47 168.87 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -88.47 112.71 23.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.592 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 20.0 t80 -144.23 144.17 31.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.507 ' O ' HG23 ' A' ' 70' ' ' VAL . 7.3 t-20 51.32 32.68 8.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.572 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 63.97 24.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -143.41 137.58 28.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 39' ' ' GLU . 58.0 t -78.03 96.62 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 65' ' ' SER . 26.2 mmtt -82.84 157.66 23.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -133.28 148.02 51.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 109.565 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.9 mt -131.24 134.12 61.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.116 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -77.09 141.31 40.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.472 ' CD1' HG13 ' A' ' 64' ' ' ILE . 96.7 mt -112.87 115.59 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.4 mtm -93.91 139.52 30.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 p -116.96 132.25 56.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.85 123.43 12.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 64.31 25.01 13.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.01 -12.53 68.81 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.2 mt -83.3 154.45 24.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.807 0.337 . . . . 0.0 110.935 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -116.02 127.97 55.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -162.1 132.03 4.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.457 HD13 ' CD1' ' A' ' 107' ' ' LEU . 6.1 pt -72.71 -22.35 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.9 t -134.4 151.35 51.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -77.78 46.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -108.51 -44.66 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.569 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.8 tmtt? -156.65 128.11 7.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.9 156.76 17.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.569 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 3.1 m-85 -133.46 163.58 29.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 37.5 mmt-85 -49.96 -49.22 51.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.475 ' N ' ' OE1' ' A' ' 97' ' ' GLU . . . -157.47 179.95 32.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.461 ' N ' HD21 ' A' ' 95' ' ' LEU . 2.5 mm? -45.22 -62.56 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.1 m -34.84 -46.28 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 94' ' ' GLY . 25.4 mp0 -72.01 -57.15 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.543 HD23 ' CE1' ' A' ' 92' ' ' PHE . 1.7 tm? -47.97 -57.51 5.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.443 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 95.5 t -56.92 -49.53 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.412 ' HA ' ' CD ' ' A' ' 103' ' ' GLN . 4.4 mt-10 -51.24 -33.74 29.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.522 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 79.6 t80 -70.34 -51.79 27.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.518 ' CE2' HD22 ' A' ' 98' ' ' LEU . 10.2 m-85 -61.11 -25.29 66.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.412 ' CD ' ' HA ' ' A' ' 100' ' ' GLU . 74.9 mt-30 -56.02 -13.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -117.41 -22.82 8.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -119.25 131.62 55.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.472 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 4.6 t -59.17 154.84 15.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.457 ' CD1' HD13 ' A' ' 86' ' ' ILE . 1.7 mm? -79.3 -11.0 59.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -43.32 -33.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -45.05 -40.51 6.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.4 t -96.39 -33.64 11.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 114' ' ' LEU . 99.1 m-85 -133.67 82.2 1.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -39.88 -32.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.457 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 14.4 t -69.07 -41.01 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 111' ' ' PHE . 10.9 tp -92.32 91.0 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.97 73.92 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.592 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 11.8 t -129.99 -178.84 4.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 6.8 p -149.01 145.75 27.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.57 HD12 ' CD2' ' A' ' 50' ' ' PHE . 2.6 mm? -59.37 100.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.426 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 12.8 mt-30 -85.45 -72.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -141.54 151.86 61.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.678 0.751 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 162.97 40.04 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.65 2.233 . . . . 0.0 112.319 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.575 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 16.1 p90 -74.97 -37.74 61.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.575 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 13.8 mtmt -67.87 -23.97 65.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 123' ' ' LYS . 1.8 tt0 -33.68 126.77 0.44 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 126' ' ' GLU . 54.2 Cg_endo -69.7 149.26 67.05 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 125' ' ' PRO . 2.0 tp10 -35.44 151.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 68.33 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 10.8 tpt85 -121.51 85.69 2.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 130' ' ' ILE . 3.0 t -129.63 116.69 19.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 129' ' ' THR . 66.8 mt -37.28 -46.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.5 t -130.51 138.5 50.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.32 161.93 23.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 55.8 p -92.38 154.84 18.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 177.16 71.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 102.81 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 38.1 p -72.34 141.39 48.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 54.7 p -71.34 -50.82 28.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.797 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -46.02 -55.95 6.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.3 m -60.9 110.99 1.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.07 164.39 12.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -84.18 -51.14 7.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 110.83 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.2 p 39.85 42.04 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.12 75.46 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.502 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -137.99 166.18 24.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.764 0.316 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.7 104.44 11.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.057 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -101.08 150.1 23.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -170.46 136.85 1.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -123.84 106.34 10.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -91.24 111.27 22.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.526 ' ND2' ' H ' ' A' ' 16' ' ' TRP . 28.7 t30 -58.24 148.33 27.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.552 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 7.6 p-90 -133.02 37.67 3.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.526 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 13.0 t-105 -98.15 134.9 40.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.91 -47.64 74.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.34 161.53 22.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 166.84 26.23 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.662 2.242 . . . . 0.0 112.328 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -172.06 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.28 . . . . 0.0 112.374 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -45.77 169.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -78.16 99.65 6.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.534 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 73.3 mt -98.59 -15.58 19.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.3 t -62.28 -36.89 83.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.7 m -53.11 -22.9 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.142 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.534 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 39.3 m-70 -75.81 158.9 31.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.6 mt -86.77 -32.17 20.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 8.1 p-90 -84.99 20.09 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 23' ' ' LEU . 13.4 t80 -112.62 97.76 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.472 ' CB ' ' HE3' ' A' ' 33' ' ' MET . . . -104.69 33.24 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.91 -152.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 87.68 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.649 2.232 . . . . 0.0 112.358 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.473 ' HE2' ' CD1' ' A' ' 41' ' ' ILE . 31.6 ttp -111.83 145.63 39.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -74.09 168.53 19.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -63.76 -52.42 60.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.57 -46.07 38.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.61 -56.45 15.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.457 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' CB ' HD22 ' A' ' 51' ' ' LEU . . . -61.25 -38.22 85.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.72 0.295 . . . . 0.0 111.08 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.458 ' HA ' ' CG2' ' A' ' 72' ' ' VAL . 17.9 mt-10 -69.97 -24.32 63.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.7 m -95.48 -26.19 15.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CD1' ' HE2' ' A' ' 33' ' ' MET . 48.7 mt -73.87 -54.84 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.472 ' HA ' ' CG ' ' A' ' 45' ' ' ARG . 23.2 mt -74.07 -12.28 60.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.63 -52.87 20.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -82.77 -31.41 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.472 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 11.5 mmt-85 -46.61 170.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.3 m -94.62 136.12 35.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 46' ' ' SER . 38.6 t70 -35.67 126.85 0.66 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.436 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 110.57 -19.09 26.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.3 m -65.26 102.0 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 111.168 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.515 ' CG ' HD13 ' A' ' 118' ' ' LEU . 23.5 p90 -91.22 153.99 19.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.561 ' CD1' ' C ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -151.49 127.22 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.438 ' CG2' HG12 ' A' ' 64' ' ' ILE . 18.9 t -98.35 133.37 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.4 ptt85 -138.85 168.94 18.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.658 ' NE2' ' CZ ' ' A' ' 62' ' ' PHE . 3.6 tt0 -110.26 176.44 5.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -103.39 62.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 56' ' ' VAL . 58.2 t 37.17 46.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.446 ' HB2' ' CB ' ' A' ' 60' ' ' ALA . 33.0 mmtt -151.33 136.87 17.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -53.99 114.65 1.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 53.52 41.44 32.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 57' ' ' LYS . . . -74.62 177.54 6.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -60.63 84.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.658 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 73.6 m-85 -39.91 161.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.2 129.63 12.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.438 HG12 ' CG2' ' A' ' 52' ' ' VAL . 17.6 mt -99.78 133.06 44.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.1 m -137.0 125.86 24.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.448 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -128.68 164.8 29.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.438 ' HE3' ' C ' ' A' ' 70' ' ' VAL . 21.6 tptt -84.18 115.23 22.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.571 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 22.8 t80 -145.38 140.77 27.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.519 ' O ' HG21 ' A' ' 70' ' ' VAL . 15.5 t30 52.13 30.51 7.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.548 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 65.42 24.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -141.42 129.19 21.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 39' ' ' GLU . 95.2 t -74.76 99.27 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -83.39 157.28 22.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -129.31 143.5 50.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.594 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.8 mt -129.2 128.96 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.11 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -75.28 138.02 41.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 91.3 mt -109.03 104.08 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 mtm -78.62 157.17 28.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.2 p -132.22 143.4 49.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -158.72 126.03 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 63.86 24.96 13.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.51 18.98 62.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.3 mt -109.59 166.25 11.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -126.8 123.23 36.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.472 ' NE ' ' HB2' ' A' ' 91' ' ' ALA . 20.4 ptt180 -161.67 126.33 3.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.522 HG12 ' CE2' ' A' ' 102' ' ' TYR . 4.7 pt -63.98 -24.57 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.0 t -135.83 153.75 51.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -79.22 43.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.401 ' HA ' ' CE ' ' A' ' 89' ' ' LYS . 2.4 mmpt? -104.18 -37.3 7.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.413 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 20.7 tptt -163.01 119.94 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.472 ' HB2' ' NE ' ' A' ' 85' ' ' ARG . . . -98.0 153.39 18.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.498 ' CE2' ' HB2' ' A' ' 101' ' ' PHE . 3.6 m-85 -131.84 160.41 35.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -53.91 -43.06 69.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.34 -178.44 27.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.502 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.5 mm? -56.85 -61.33 2.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.372 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.458 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.9 m -32.82 -42.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -77.9 -57.76 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.575 HD23 ' CE2' ' A' ' 102' ' ' TYR . 2.5 tm? -45.69 -50.56 13.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.457 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 45.4 t -61.46 -44.16 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -50.94 -44.72 60.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.498 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 33.8 t80 -62.31 -42.63 99.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.575 ' CE2' HD23 ' A' ' 98' ' ' LEU . 11.4 m-85 -69.92 -23.03 63.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.465 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 73.5 mt-30 -67.2 -9.52 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.497 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.6 pt20 -118.23 -18.79 9.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.497 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 15.6 m-80 -121.72 144.49 48.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.8 m -70.7 139.78 51.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.58 -11.16 22.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -42.26 -33.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -44.81 -41.03 6.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.9 t -95.57 -35.33 11.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 114' ' ' LEU . 86.1 m-85 -134.35 86.3 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.815 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -43.09 -44.45 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.3 p -57.98 -34.42 69.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 111' ' ' PHE . 16.1 tp -100.95 95.3 6.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.98 80.27 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.571 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 9.9 t -131.73 -179.39 5.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 27.2 p -147.87 153.32 38.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.515 HD13 ' CG ' ' A' ' 50' ' ' PHE . 2.2 mm? -66.81 89.57 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.436 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.5 mt-30 -70.88 -72.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.434 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 1.0 OUTLIER -142.79 154.38 62.41 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.638 0.732 . . . . 0.0 110.896 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 167.03 25.6 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.385 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 15.1 p90 -80.75 -38.87 27.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 18.2 mttm -65.2 -26.12 68.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.5 tt0 -31.65 128.03 0.31 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.731 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 149.23 66.38 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.339 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -46.26 144.93 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.2 pttm -109.43 147.76 32.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -162.29 167.76 23.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 10.4 t -81.42 41.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 49.5 mm -104.03 123.05 57.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.5 t -60.1 105.47 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.408 ' C ' ' HD2' ' A' ' 132' ' ' ARG . 7.1 tmm_? -124.86 134.92 52.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.8 t -78.39 -61.66 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.05 -151.51 37.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 146.19 59.13 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.2 p -158.36 148.09 19.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 43.8 t -143.51 119.22 10.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 t 66.22 43.23 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 p -114.48 152.16 32.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.25 -141.26 12.54 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 m -67.44 154.47 41.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.362 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 p -64.6 -53.15 52.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.73 -133.2 10.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -150.71 168.57 23.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.0 171.75 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.093 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -84.91 170.23 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.09 173.78 6.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.07 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -44.39 113.21 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.402 ' O ' ' CD ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -98.86 41.33 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -92.55 113.84 26.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.549 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 8.3 p-90 -112.75 37.62 3.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -94.3 161.85 14.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.95 38.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 148.09 156.12 6.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 135.89 31.5 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.38 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -178.17 2.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.345 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -68.56 143.76 54.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -83.56 113.33 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.565 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 97.5 mt -98.56 -28.78 13.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.532 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 11.2 t -58.59 -33.8 70.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.1 m -57.24 -19.16 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.635 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 27.8 m-70 -76.35 159.44 30.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.5 mt -84.47 -35.0 23.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.635 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 7.6 p-90 -81.92 19.19 1.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.532 ' CD2' ' HA ' ' A' ' 24' ' ' SER . 22.2 t80 -114.23 94.81 4.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.933 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -98.27 36.16 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.136 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.32 -151.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.51 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 109.71 2.38 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.45 ' CE ' ' CD1' ' A' ' 41' ' ' ILE . 21.7 ttp -136.82 147.47 46.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -79.06 170.14 17.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ALA . 25.4 ttm180 -59.51 -62.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . -36.98 -58.06 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -42.48 -61.88 2.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.52 -45.92 56.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.738 0.304 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.453 ' HA ' ' CB ' ' A' ' 72' ' ' VAL . 21.8 mt-10 -66.35 -22.5 66.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.9 t -93.71 -19.6 20.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.45 ' CD1' ' CE ' ' A' ' 33' ' ' MET . 45.9 mt -73.39 -59.27 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.549 ' CD2' ' CD2' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -77.37 -2.48 35.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.85 -40.4 63.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -99.83 -26.51 14.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.461 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 27.0 mmm180 -52.95 171.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.77 141.41 28.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -40.44 122.05 1.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.408 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 117.95 -19.27 11.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.459 ' CG2' HD13 ' A' ' 42' ' ' LEU . 6.0 m -65.13 114.02 4.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 111.159 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.515 ' CG ' HD13 ' A' ' 118' ' ' LEU . 15.8 p90 -107.51 152.26 24.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.549 ' CD2' ' CD2' ' A' ' 42' ' ' LEU . 1.1 pp -152.92 130.76 11.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.61 145.32 9.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.1 ptt85 -147.46 164.3 33.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.588 ' OE1' ' CZ ' ' A' ' 62' ' ' PHE . 3.8 tt0 -100.03 165.34 11.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.514 ' O ' ' CG1' ' A' ' 56' ' ' VAL . 4.2 tpt85 -75.97 46.91 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' A' ' 55' ' ' ARG . 5.2 p 50.29 25.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -148.03 148.76 31.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 59' ' ' ALA . 8.2 m-20 -47.31 133.02 12.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.19 46.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 61' ' ' GLU . . . -88.45 151.8 22.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.067 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 60' ' ' ALA . 12.1 pt-20 -32.85 97.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.588 ' CZ ' ' OE1' ' A' ' 54' ' ' GLN . 68.9 m-85 -58.38 166.53 1.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.95 136.3 12.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.1 mt -105.27 132.98 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.6 m -135.02 131.75 37.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.457 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -135.77 168.82 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -85.29 116.57 23.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.575 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 13.1 t80 -145.18 138.05 26.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.516 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.1 OUTLIER 51.5 31.71 7.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.55 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 65.94 25.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -141.46 130.7 23.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.453 ' CB ' ' HA ' ' A' ' 39' ' ' GLU . 69.9 t -74.71 100.02 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -83.37 157.59 22.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.427 ' CE1' ' HG2' ' A' ' 39' ' ' GLU . 7.7 m-70 -131.15 143.56 50.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.575 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.43 HG22 ' CD1' ' A' ' 86' ' ' ILE . 35.4 mt -127.22 130.29 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.111 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -76.73 136.5 39.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 96.5 mt -112.49 122.48 66.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 mtm -98.32 156.88 16.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 p -130.07 141.43 50.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.172 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.49 126.65 4.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 64.21 25.02 13.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.8 21.53 59.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.3 mt -112.56 169.35 8.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.49 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 46.3 m-85 -132.51 122.79 25.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.468 ' NE ' ' HB3' ' A' ' 91' ' ' ALA . 21.5 ptt180 -161.32 132.59 5.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.43 ' CD1' HG22 ' A' ' 75' ' ' ILE . 19.2 pt -71.68 -20.14 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.2 t -135.88 148.56 48.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -78.01 46.46 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -112.49 -41.17 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -152.09 120.68 6.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.468 ' HB3' ' NE ' ' A' ' 85' ' ' ARG . . . -105.15 150.5 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CE1' HD23 ' A' ' 98' ' ' LEU . 4.9 m-85 -127.79 158.08 38.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -49.1 -43.4 41.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.52 176.83 34.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.49 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.1 mm? -49.54 -57.56 6.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.458 ' C ' ' O ' ' A' ' 95' ' ' LEU . 5.5 m -33.17 -44.62 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.54 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.57 HD23 ' CE1' ' A' ' 92' ' ' PHE . 1.8 tm? -43.86 -50.31 7.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.444 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 55.5 t -65.62 -46.85 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -55.66 -34.08 64.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.403 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 53.7 t80 -69.19 -50.05 51.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.472 ' HB3' ' CD2' ' A' ' 118' ' ' LEU . 9.7 m-85 -62.47 -26.01 68.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -56.8 -14.05 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -115.23 -25.34 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -116.8 140.01 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.459 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 9.1 t -70.78 141.92 51.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.416 ' N ' ' CD2' ' A' ' 107' ' ' LEU . 1.5 mm? -65.49 -7.09 12.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.9 pttt -42.55 -42.39 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -43.59 -48.93 7.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.8 m -80.27 -38.38 31.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' A' ' 114' ' ' LEU . 83.3 m-85 -134.35 87.48 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -42.79 -30.77 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.447 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 47.7 t -72.87 -36.84 67.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 111' ' ' PHE . 6.2 tp -95.78 89.53 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -99.19 74.65 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.575 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 6.1 t -133.36 -177.85 4.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.459 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 1.1 p -149.99 158.49 44.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.515 HD13 ' CG ' ' A' ' 50' ' ' PHE . 2.1 mm? -70.25 93.82 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.408 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.2 mt-30 -75.46 -72.05 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -141.54 149.63 54.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.667 0.746 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 171.13 15.01 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.697 2.264 . . . . 0.0 112.369 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.579 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 11.7 p90 -87.95 -42.52 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 15.7 mttm -60.41 -24.86 65.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.2 tm-20 -33.0 133.72 0.3 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.627 0.727 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 126' ' ' GLU . 53.8 Cg_endo -69.77 150.28 67.92 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 125' ' ' PRO . 5.3 tt0 -36.99 153.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm -115.86 40.01 2.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.403 ' NE ' HD11 ' A' ' 130' ' ' ILE . 68.5 mtm180 -53.53 149.5 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 11.4 t -80.93 43.14 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.403 HD11 ' NE ' ' A' ' 128' ' ' ARG . 47.8 mt -99.08 -56.83 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.3 m -165.16 143.75 6.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 133' ' ' SER . 23.8 mmt85 -42.83 140.63 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 132' ' ' ARG . 3.6 t -37.81 -62.07 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.831 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 172.17 -178.26 44.44 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -17.7 37.12 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.668 2.245 . . . . 0.0 112.327 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 36.6 m -158.77 140.65 13.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 30.1 p -60.82 -48.6 81.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.1 p -157.77 130.2 7.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 110.895 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p -152.91 156.45 38.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.81 -175.9 19.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -173.22 137.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.3 p -118.88 136.5 54.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.72 115.76 0.64 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -167.8 147.17 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.79 99.16 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -140.88 163.64 32.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 56.28 28.51 13.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -60.71 110.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -50.37 151.52 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -148.5 150.48 33.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.568 ' O ' ' CG ' ' A' ' 15' ' ' TRP . 5.9 t-105 -113.32 0.26 14.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -88.83 142.47 27.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 18' ' ' GLY . 8.3 pt-20 -63.0 -40.59 98.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.436 ' N ' ' HG3' ' A' ' 17' ' ' GLU . . . 132.72 158.7 8.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 167.49 24.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.34 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -172.9 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.651 2.234 . . . . 0.0 112.383 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.446 ' NE2' HD12 ' A' ' 23' ' ' LEU . 11.7 pt20 -42.63 127.64 3.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -99.54 107.92 20.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.55 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 94.9 mt -98.6 -23.79 15.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.2 t -58.61 -36.06 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.8 m -53.93 -31.97 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.67 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 22.6 m-70 -64.01 164.2 10.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.3 mt -89.72 -33.92 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.67 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.9 p-90 -82.53 19.41 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.529 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 12.2 t80 -115.24 94.48 4.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 122' ' ' PHE . . . -92.17 26.39 2.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.99 -144.98 0.38 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 94.07 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.651 2.234 . . . . 0.0 112.327 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.496 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 33.6 ttp -128.8 140.16 51.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -80.35 167.62 20.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 35' ' ' ARG . 17.3 ttp-105 -54.07 -56.65 16.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 37' ' ' GLY . . . -40.41 -65.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.06 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' ALA . . . -37.16 -51.91 1.64 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.59 99.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.741 0.305 . . . . 0.0 111.094 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 21.0 mt-10 -69.37 -22.96 63.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.5 t -95.48 -24.42 16.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.496 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 21.3 mt -79.26 -55.82 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.6 mt -75.88 -17.0 59.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.457 ' O ' ' NZ ' ' A' ' 67' ' ' LYS . . . -50.8 -47.18 59.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -86.54 -32.51 20.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.466 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 11.6 mmp_? -47.52 175.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.08 136.79 33.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -38.83 127.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.43 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 112.44 -20.99 20.19 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.0 m -65.21 107.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 111.183 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.537 ' CG ' HD12 ' A' ' 118' ' ' LEU . 20.5 p90 -97.25 153.1 18.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.557 ' CD1' ' C ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -151.21 128.22 11.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.3 t -94.83 121.68 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.421 HH21 ' CG ' ' A' ' 74' ' ' HIS . 21.6 ptt85 -122.84 161.63 23.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.481 ' CG ' ' HB3' ' A' ' 60' ' ' ALA . 35.6 tt0 -141.23 109.36 5.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 54' ' ' GLN . 5.3 mpt_? -39.25 160.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.416 ' C ' ' HD2' ' A' ' 57' ' ' LYS . 31.0 m -88.29 60.13 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 9.2 mptt -142.76 167.52 21.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -41.09 118.89 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.481 ' O ' ' C ' ' A' ' 60' ' ' ALA . . . 35.59 37.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.481 ' HB3' ' CG ' ' A' ' 54' ' ' GLN . . . -30.12 123.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.99 101.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.47 ' CZ ' ' OE1' ' A' ' 54' ' ' GLN . 42.3 m-85 -41.9 163.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.443 ' N ' HD11 ' A' ' 77' ' ' ILE . . . -157.51 136.66 11.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.049 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.413 ' O ' ' CG1' ' A' ' 75' ' ' ILE . 13.1 mt -103.14 106.72 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -107.58 132.15 53.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.488 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -138.1 164.98 26.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.137 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.457 ' NZ ' ' O ' ' A' ' 43' ' ' ALA . 19.3 tptm -86.93 112.88 22.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.4 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 18.1 t80 -143.9 145.5 32.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.521 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 19.7 t30 51.51 31.85 8.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.536 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.9 OUTLIER 65.05 25.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.2 pt-20 -144.11 140.35 29.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 62.1 t -79.68 96.85 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -83.27 153.48 24.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.421 ' CG ' HH21 ' A' ' 53' ' ' ARG . 24.8 m-70 -119.03 143.76 46.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.617 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.413 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 3.7 mm -122.77 104.41 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -59.51 136.14 57.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.443 HD11 ' N ' ' A' ' 63' ' ' ALA . 95.7 mt -112.52 127.04 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.9 mtm -104.73 139.45 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 p -116.98 138.3 51.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.184 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -154.99 129.97 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 62.39 25.05 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.27 9.88 83.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.8 mt -103.89 160.09 15.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.476 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 81.9 m-85 -116.87 126.19 52.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.419 ' HB3' ' HA ' ' A' ' 91' ' ' ALA . 38.2 ptt85 -161.73 134.91 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.418 HD11 ' CB ' ' A' ' 110' ' ' CYS . 5.0 pt -79.21 -15.86 13.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.1 t -143.86 151.52 39.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.52 46.18 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.47 ' CE ' ' HB2' ' A' ' 109' ' ' ASP . 17.6 mtmm -113.06 -35.72 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.42 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 25.0 tptt -159.8 128.91 5.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 85' ' ' ARG . . . -110.87 150.58 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.537 ' CE1' HD21 ' A' ' 98' ' ' LEU . 5.3 m-85 -129.21 162.94 26.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -55.53 -44.74 76.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.3 177.77 31.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.476 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.3 mm? -51.02 -58.43 6.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.3 m -32.75 -46.55 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -74.84 -61.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.537 HD21 ' CE1' ' A' ' 92' ' ' PHE . 1.5 tm? -40.15 -49.12 2.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.453 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 58.9 t -65.1 -44.08 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -50.66 -45.9 58.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -62.22 -45.76 91.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.476 ' HB3' ' CD2' ' A' ' 118' ' ' LEU . 10.9 m-85 -69.04 -21.74 64.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.437 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 75.9 mt-30 -69.41 -11.31 60.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.477 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.7 pt20 -116.77 -19.02 10.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.477 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 13.8 m-80 -122.92 147.3 46.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.485 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 3.8 m -64.27 147.89 51.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.431 HD23 ' N ' ' A' ' 107' ' ' LEU . 0.7 OUTLIER -77.88 -12.47 59.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.912 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -41.63 -37.03 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.47 ' HB2' ' CE ' ' A' ' 89' ' ' LYS . 12.0 p-10 -37.74 -40.57 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.418 ' CB ' HD11 ' A' ' 86' ' ' ILE . 5.6 t -95.88 -33.53 12.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 114' ' ' LEU . 92.1 m-85 -131.68 80.72 1.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -41.16 -30.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.459 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 66.7 m -73.44 -38.57 65.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 111' ' ' PHE . 25.3 tp -98.28 96.87 8.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -101.21 75.88 1.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.4 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 14.8 t -123.62 -173.96 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.485 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 1.8 p -155.8 144.75 20.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.537 HD12 ' CG ' ' A' ' 50' ' ' PHE . 2.7 mm? -58.13 96.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.43 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.6 mt-30 -78.08 -74.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.439 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -141.4 152.37 63.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.667 0.746 . . . . 0.0 110.856 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.02 47.55 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.352 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.587 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 11.3 p90 -74.52 -35.43 63.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.587 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 18.2 mttm -70.19 -24.17 63.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.3 tm-20 -32.12 134.64 0.26 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.71 0.767 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 126' ' ' GLU . 53.9 Cg_endo -69.74 149.08 66.51 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.729 2.286 . . . . 0.0 112.311 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 125' ' ' PRO . 50.7 tt0 -34.24 135.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -39.34 -49.85 2.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 75.7 mtt-85 -76.98 48.03 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 6.9 t -86.97 161.39 18.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.9 mp -70.67 80.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.0 p -42.31 134.3 2.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -145.54 147.08 31.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 80.4 p -69.76 172.7 7.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 84.03 127.93 1.51 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -174.0 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.7 2.266 . . . . 0.0 112.341 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 38.6 m -94.48 41.98 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 138' ' ' GLY . 33.4 t 42.68 42.1 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 137' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 p -92.04 42.2 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.92 0.391 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -108.29 -51.01 2.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.79 78.23 0.58 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.524 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 m -65.97 97.94 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -170.13 173.49 5.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.88 69.54 0.37 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.429 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -116.32 86.1 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.9 135.76 36.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.089 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -173.37 147.08 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.75 129.13 27.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -109.97 92.4 4.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -41.68 146.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -108.79 177.98 4.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.569 ' O ' ' CG ' ' A' ' 15' ' ' TRP . 36.4 p-90 -173.36 105.52 0.13 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 12.2 t-105 -158.78 156.74 30.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -85.77 41.96 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.35 145.25 9.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 141.07 44.14 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 173.62 10.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -53.24 142.77 20.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.08 82.97 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.556 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 52.1 mt -49.76 -22.02 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 t -58.27 -34.23 70.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.0 m -55.62 -27.3 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.15 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.576 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 31.4 m-70 -68.0 177.07 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.0 mt -99.26 -50.97 3.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.576 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 1.2 p-90 -59.78 -25.63 65.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 15.7 t80 -67.79 114.05 6.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.477 ' CB ' ' HE2' ' A' ' 33' ' ' MET . . . -118.42 37.7 3.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 37.47 -153.23 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 90.8 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.477 ' HE2' ' CB ' ' A' ' 30' ' ' ALA . 19.8 ttp -116.51 138.88 51.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.437 ' HG2' ' CG1' ' A' ' 56' ' ' VAL . 5.5 mm-40 -70.98 162.98 28.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.506 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 4.7 tmm_? -58.97 -53.87 53.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.506 ' N ' ' HD2' ' A' ' 35' ' ' ARG . . . -50.81 -48.93 59.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.92 -51.55 10.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.488 ' CB ' HD23 ' A' ' 51' ' ' LEU . . . -62.78 -36.78 84.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.312 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.473 ' HA ' ' CG2' ' A' ' 72' ' ' VAL . 23.2 mt-10 -69.6 -22.42 63.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.9 t -94.65 -28.52 15.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.452 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 35.0 mt -73.95 -53.3 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.452 ' HA ' ' CG ' ' A' ' 45' ' ' ARG . 31.4 mt -75.61 -11.08 59.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.13 -57.66 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -78.62 -33.24 47.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.452 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 27.1 mmt180 -43.41 165.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.2 m -90.04 136.81 32.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.1 p-10 -36.9 126.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.828 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.454 ' CA ' ' HG3' ' A' ' 119' ' ' GLN . . . 111.43 -19.69 23.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.511 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.1 m -65.68 100.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 111.16 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.508 ' CG ' HD12 ' A' ' 118' ' ' LEU . 23.4 p90 -89.59 157.64 17.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.553 ' CD1' ' C ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -154.77 133.78 12.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.402 HG21 ' CE3' ' A' ' 28' ' ' TRP . 22.1 t -105.12 145.38 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.457 ' NH2' ' ND1' ' A' ' 74' ' ' HIS . 14.0 ptt85 -153.09 167.0 30.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.421 ' OE1' ' CE2' ' A' ' 62' ' ' PHE . 27.5 tp60 -96.75 157.03 16.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.5 ' O ' ' C ' ' A' ' 56' ' ' VAL . 2.9 mmt85 -75.99 68.08 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.5 ' C ' ' O ' ' A' ' 55' ' ' ARG . 2.7 m 30.03 48.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.518 ' CB ' ' CB ' ' A' ' 60' ' ' ALA . 6.4 mmtt -172.11 139.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.82 108.82 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 49.15 32.47 4.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.518 ' CB ' ' CB ' ' A' ' 57' ' ' LYS . . . -61.05 -63.15 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -170.7 105.03 0.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.421 ' CE2' ' OE1' ' A' ' 54' ' ' GLN . 83.5 m-85 -60.47 146.05 46.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.93 130.42 20.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.5 mt -97.78 122.01 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.1 m -128.65 123.82 34.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.468 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -127.87 168.64 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -87.96 117.59 26.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.555 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 17.4 t80 -145.1 141.35 28.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.523 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 3.4 t-20 50.87 33.33 8.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.523 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.35 24.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 68' ' ' TYR . 3.0 pt-20 -141.42 136.44 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 39' ' ' GLU . 85.2 t -81.03 99.92 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -82.96 157.25 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.457 ' ND1' ' NH2' ' A' ' 53' ' ' ARG . 64.7 m-70 -128.12 142.94 51.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.586 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.7 mt -132.47 124.79 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 148.26 42.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 88.2 mt -116.07 109.06 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mtm -80.83 137.94 36.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.534 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.4 p -119.05 137.75 53.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.154 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.01 127.75 6.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 64.79 25.27 12.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.1 6.17 86.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.9 mt -99.31 161.36 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.944 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.534 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 76.0 m-85 -125.69 124.87 42.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.454 ' HD3' ' CB ' ' A' ' 91' ' ' ALA . 19.9 ptt85 -162.05 123.89 2.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 43.0 pt -62.76 -21.0 26.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.0 t -136.79 152.6 50.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -81.54 45.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -112.82 -36.13 5.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.455 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 23.5 tptt -155.24 120.83 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.454 ' CB ' ' HD3' ' A' ' 85' ' ' ARG . . . -103.36 151.71 22.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.561 ' CE1' HD21 ' A' ' 98' ' ' LEU . 11.5 m-85 -130.65 159.81 36.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.923 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -57.02 -41.3 78.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.38 176.02 32.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.444 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.4 mm? -53.91 -59.48 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.9 0.381 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 95' ' ' LEU . 4.8 m -32.63 -44.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -76.79 -59.62 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.561 HD21 ' CE1' ' A' ' 92' ' ' PHE . 1.4 tm? -42.02 -48.97 4.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.448 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 24.4 t -64.3 -45.24 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -50.11 -45.51 52.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.408 ' O ' ' HG3' ' A' ' 104' ' ' GLN . 32.3 t80 -64.19 -42.66 96.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.533 ' CE2' ' CD2' ' A' ' 98' ' ' LEU . 8.2 m-85 -70.3 -20.01 63.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.472 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 73.4 mt-30 -69.2 -16.01 63.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.948 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.435 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.4 pt20 -110.46 -23.34 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.435 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 11.1 m-80 -116.7 140.76 49.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.463 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 2.8 m -68.26 145.43 54.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -68.69 -10.57 57.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.9 pttt -41.81 -36.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -49.02 -47.98 44.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.8 m -83.33 -40.74 19.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 114' ' ' LEU . 95.0 m-85 -134.75 85.48 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 113' ' ' SER . 1.9 tmtp? -37.8 -62.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.443 ' N ' ' HD3' ' A' ' 112' ' ' LYS . 4.5 m -42.37 -34.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 111' ' ' PHE . 6.9 tp -99.58 91.24 4.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.956 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.72 77.65 1.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.555 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 13.8 t -130.24 -177.8 4.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.463 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 1.0 OUTLIER -150.16 152.06 34.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.508 HD12 ' CG ' ' A' ' 50' ' ' PHE . 2.1 mm? -67.74 88.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.454 ' HG3' ' CA ' ' A' ' 48' ' ' GLY . 8.4 mt-30 -71.6 -72.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.457 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -141.72 152.05 61.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.62 0.724 . . . . 0.0 110.864 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 166.56 27.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.366 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.597 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 14.9 p90 -76.56 -37.71 56.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.597 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 8.6 mtmt -71.55 -18.75 62.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.3 tm-20 -34.78 133.78 0.42 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 126' ' ' GLU . 53.3 Cg_endo -69.73 171.46 14.39 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.313 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 125' ' ' PRO . 8.5 tt0 -34.7 136.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -39.71 101.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -166.28 117.8 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 56.4 p -103.72 94.0 5.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -83.68 20.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 t -149.65 164.39 35.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -97.74 133.35 42.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.0 t -63.59 162.83 12.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -74.77 143.61 31.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 140.74 43.39 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 55.0 m -120.81 165.11 15.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 89.7 p -136.08 128.2 29.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -135.51 116.25 13.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.4 p -128.09 145.33 51.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.7 72.3 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.477 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -128.1 91.38 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.897 0.379 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.7 p -135.37 157.83 45.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.3 -94.62 0.63 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -59.2 126.65 28.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.755 0.312 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.73 104.58 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.051 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -90.08 119.72 30.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -158.43 150.58 21.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -146.56 116.53 7.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -142.09 152.87 43.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -93.5 164.62 13.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 9.1 p-90 -109.71 37.35 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.503 ' O ' ' N ' ' A' ' 18' ' ' GLY . 7.7 t-105 -82.0 144.96 30.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 38.89 25.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 16' ' ' TRP . . . -50.89 167.37 0.5 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.504 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 156.03 64.45 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 179.81 3.43 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.728 2.285 . . . . 0.0 112.34 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' N ' ' CD ' ' A' ' 21' ' ' GLN . 19.3 mp0 -92.13 122.61 34.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.12 89.6 7.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.53 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 62.9 mt -97.96 -26.48 14.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.0 p -57.18 -33.81 67.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.9 m -58.33 -19.47 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.53 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 31.9 m-70 -77.72 163.95 25.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.5 mt -90.14 -35.74 15.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.505 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.4 p-90 -80.36 15.29 1.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.414 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 18.8 t80 -107.66 94.55 5.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.516 ' CB ' ' CZ ' ' A' ' 122' ' ' PHE . . . -97.85 35.13 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.23 -153.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.444 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 85.65 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.451 ' HE2' ' CB ' ' A' ' 30' ' ' ALA . 27.7 ttp -110.72 146.75 35.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -82.86 146.69 28.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -39.96 -55.98 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.27 -61.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.29 -50.24 6.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.25 81.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -74.45 -23.11 58.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.3 t -91.95 -28.57 17.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.792 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.2 mt -74.62 -57.79 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.472 ' CD2' HD23 ' A' ' 51' ' ' LEU . 31.6 mt -65.69 -22.42 66.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.89 -45.51 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' ARG . 55.0 m-80 -88.21 -31.5 19.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.466 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 17.2 mmp_? -49.28 179.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.75 148.96 23.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 11.2 p-10 -50.14 102.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.453 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 132.79 -19.19 4.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.0 m -64.38 102.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.334 . . . . 0.0 111.09 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.562 ' CD2' HD12 ' A' ' 118' ' ' LEU . 23.5 p90 -88.66 154.89 19.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.578 ' HB2' ' CD1' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -153.18 129.14 10.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.6 t -99.48 141.84 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -143.68 167.29 22.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 57' ' ' LYS . 0.8 OUTLIER -108.51 148.09 30.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.474 ' N ' ' OE1' ' A' ' 54' ' ' GLN . 24.8 mtm180 -82.55 36.13 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.0 m 38.17 51.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.486 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 20.2 mmtp -151.89 154.64 36.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -47.36 111.77 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 46.94 27.9 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 55' ' ' ARG . . . -43.91 126.23 4.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 62' ' ' PHE . 9.0 pt-20 -41.65 94.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.838 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 60' ' ' ALA . 60.6 m-85 -36.2 154.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -136.41 130.17 32.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.421 ' CD1' HD13 ' A' ' 77' ' ' ILE . 44.5 mt -103.11 127.25 57.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.3 m -130.33 133.43 46.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.517 ' C ' ' CD1' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -137.67 168.82 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -89.86 115.42 27.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.569 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 11.8 t80 -144.45 142.51 30.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.512 ' O ' HG23 ' A' ' 70' ' ' VAL . 2.8 t-20 50.88 33.2 8.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.538 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.9 OUTLIER 65.16 24.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -141.54 141.02 33.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.4 t -84.24 98.81 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -83.63 156.82 22.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -129.5 144.92 51.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.653 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.41 ' CD1' HD13 ' A' ' 107' ' ' LEU . 19.5 mt -130.39 127.66 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.161 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.38 138.36 36.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.421 HD13 ' CD1' ' A' ' 64' ' ' ILE . 75.1 mt -109.44 103.76 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.8 mtm -74.74 142.57 44.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.556 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.1 p -116.61 136.5 52.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.67 127.87 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 66.16 25.23 10.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.98 18.04 70.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.469 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 mt -113.09 170.89 7.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.775 0.321 . . . . 0.0 110.928 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.556 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 78.1 m-85 -132.25 124.97 29.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.951 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.471 ' CD ' ' HB3' ' A' ' 91' ' ' ALA . 11.0 ptt180 -161.63 124.4 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.401 HG13 ' N ' ' A' ' 87' ' ' THR . 5.6 pt -62.92 -21.56 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.401 ' N ' HG13 ' A' ' 86' ' ' ILE . 6.2 t -135.38 149.51 49.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -79.17 44.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -110.01 -34.99 6.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -160.21 121.53 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.471 ' HB3' ' CD ' ' A' ' 85' ' ' ARG . . . -102.28 153.11 20.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.561 ' CE1' HD21 ' A' ' 98' ' ' LEU . 7.3 m-85 -130.63 161.86 30.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -55.25 -43.99 75.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.48 -177.11 29.33 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 96' ' ' THR . 0.7 OUTLIER -53.91 -59.81 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.355 . . . . 0.0 110.879 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 95' ' ' LEU . 4.3 m -32.55 -44.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -75.3 -59.59 2.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.561 HD21 ' CE1' ' A' ' 92' ' ' PHE . 1.5 tm? -44.39 -51.41 8.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.04 -48.02 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -55.78 -33.29 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.474 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 65.2 t80 -71.21 -52.23 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.494 ' CE2' HD23 ' A' ' 98' ' ' LEU . 11.2 m-85 -59.6 -25.07 64.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.944 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -55.99 -13.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.96 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -117.21 -21.42 8.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -119.89 125.69 49.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.469 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 8.6 t -57.5 144.85 35.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.41 HD13 ' CD1' ' A' ' 75' ' ' ILE . 1.1 mm? -67.15 -10.58 51.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -42.48 -35.38 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -41.4 -43.0 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.2 t -94.64 -30.08 14.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 114' ' ' LEU . 99.1 m-85 -134.68 80.38 1.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.49 -26.3 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 91.0 p -73.57 -38.06 65.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.831 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 111' ' ' PHE . 25.6 tp -95.51 97.87 10.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.48 80.09 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.569 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 14.6 t -141.4 156.88 45.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 17.5 p -126.14 150.28 48.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.562 HD12 ' CD2' ' A' ' 50' ' ' PHE . 2.8 mm? -57.43 91.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.453 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.6 mt-30 -71.5 -74.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -142.45 154.13 63.2 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.617 0.722 . . . . 0.0 110.88 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 171.53 14.35 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.336 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.6 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 26.9 p90 -81.39 -39.95 24.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.6 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 8.7 mtmm -67.96 -21.68 65.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 123' ' ' LYS . 1.7 tt0 -32.37 126.38 0.37 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.631 0.729 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 149.87 67.41 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.69 2.26 . . . . 0.0 112.328 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -58.29 -11.1 2.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -38.35 -41.4 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 56.07 43.14 27.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 31.7 p -150.66 144.23 25.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 20.2 tt -53.99 145.59 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.1 m -156.76 160.87 39.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -118.35 41.42 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.3 t -42.0 130.44 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -107.68 -109.66 3.37 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.424 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 122.5 9.19 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 85.6 p -82.76 -48.99 10.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 79.8 p -56.58 -47.79 78.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -110.46 153.64 24.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -87.49 42.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.13 91.73 0.79 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.517 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -77.04 -46.8 22.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -66.34 115.32 6.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.38 -64.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.452 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -126.95 102.3 6.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.35 28.74 4.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -148.8 138.79 22.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.81 157.19 46.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -114.4 37.86 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -111.4 144.92 39.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -161.95 172.79 15.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 39.8 p90 -98.56 41.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 -116.34 140.09 49.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 18' ' ' GLY . 6.3 pt-20 -57.3 -38.76 74.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.441 ' N ' ' HG3' ' A' ' 17' ' ' GLU . . . 140.73 156.02 6.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.524 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 143.59 51.31 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.307 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 128.49 16.07 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.262 . . . . 0.0 112.348 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -134.42 110.62 9.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.01 95.72 5.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.555 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 71.9 mt -98.35 -23.4 15.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.6 t -56.74 -36.89 70.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -53.96 -24.32 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.645 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 22.4 m-70 -70.12 158.45 35.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.825 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 69.0 mt -87.25 -33.08 19.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.645 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.1 p-90 -82.98 18.31 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -112.23 97.23 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.471 ' HB1' ' CZ ' ' A' ' 122' ' ' PHE . . . -99.9 35.51 2.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.109 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 34.65 -148.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 87.76 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.499 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 26.0 ttp -118.0 137.57 52.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -75.01 162.86 28.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.454 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 15.2 ttp-105 -55.2 -52.93 61.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.66 -57.38 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.5 -53.25 8.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.07 -36.13 76.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 111.095 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -72.38 -27.32 62.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.4 t -93.16 -22.97 18.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.499 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 26.0 mt -78.08 -55.76 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.407 ' HA ' ' CG ' ' A' ' 45' ' ' ARG . 28.4 mt -76.38 -18.05 59.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.57 -44.45 18.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -88.64 -31.49 18.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.407 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 14.6 mmp_? -48.79 171.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -90.08 137.29 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.82 122.08 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.465 ' CA ' ' HG3' ' A' ' 119' ' ' GLN . . . 116.71 -20.13 12.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.2 m -65.52 105.81 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 111.162 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.581 ' CD2' HD12 ' A' ' 118' ' ' LEU . 25.5 p90 -94.04 150.94 19.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.512 ' HB2' ' CD1' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -148.81 128.28 13.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.0 t -96.83 138.71 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.454 ' CZ ' ' HA ' ' A' ' 35' ' ' ARG . 21.9 ptt85 -143.36 156.41 44.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -109.87 119.98 41.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.498 ' N ' ' OE1' ' A' ' 54' ' ' GLN . 19.1 mtp85 -36.55 156.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.4 t -75.09 50.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.415 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 12.1 mtpp -149.0 157.37 43.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 59' ' ' ALA . 9.1 t70 -36.56 102.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 32.95 38.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 61' ' ' GLU . . . -54.85 147.01 15.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 60' ' ' ALA . 53.6 mt-10 -32.65 123.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.427 ' C ' ' HB ' ' A' ' 77' ' ' ILE . 60.2 m-85 -64.04 174.4 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.69 136.47 11.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.088 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 75' ' ' ILE . 8.7 mt -106.3 122.28 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.9 t -121.73 131.23 53.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.478 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -138.38 162.98 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -85.81 114.56 22.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.56 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 16.7 t80 -144.22 145.9 32.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.505 ' O ' HG22 ' A' ' 70' ' ' VAL . 10.4 t-20 51.35 32.7 8.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.557 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 65.34 25.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -143.8 139.1 29.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 99.6 t -78.66 96.63 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -83.24 153.65 24.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -124.72 147.97 48.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.626 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 64' ' ' ILE . 33.2 mm -119.38 146.24 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.118 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -96.68 114.8 26.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.427 ' HB ' ' C ' ' A' ' 62' ' ' PHE . 83.0 mt -93.54 126.67 45.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.1 mtm -107.4 159.0 16.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 p -134.82 139.75 45.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.83 124.95 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 68.31 25.0 7.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.19 20.88 63.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.5 mt -113.61 167.77 10.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.416 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 54.3 m-85 -128.75 124.38 35.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.432 ' NE ' ' O ' ' A' ' 87' ' ' THR . 0.0 OUTLIER -161.9 131.19 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.561 HG12 ' CE2' ' A' ' 102' ' ' TYR . 3.1 pt -71.33 -11.68 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.432 ' O ' ' NE ' ' A' ' 85' ' ' ARG . 6.3 t -148.33 166.13 28.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.4 37.34 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 89' ' ' LYS . 1.5 mmmp? -98.91 -39.2 8.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.583 ' HE3' ' CE2' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -163.63 121.15 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -96.4 159.88 14.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.583 ' CE2' ' HE3' ' A' ' 90' ' ' LYS . 7.6 m-85 -137.34 158.35 44.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 56.1 mmt-85 -50.3 -48.64 55.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.96 179.22 30.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.3 mm? -48.96 -63.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 95' ' ' LEU . 20.8 m -32.63 -48.54 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -71.78 -58.33 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.526 HD21 ' CD1' ' A' ' 92' ' ' PHE . 2.0 tm? -43.73 -52.53 6.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.445 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 61.2 t -60.4 -45.4 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -48.36 -38.44 19.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.559 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 38.6 t80 -67.89 -56.8 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.561 ' CE2' HG12 ' A' ' 86' ' ' ILE . 13.6 m-85 -58.81 -18.41 31.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.486 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 31.9 mt-30 -70.51 -13.67 62.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.484 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 1.3 pt20 -115.55 -22.03 9.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.484 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 8.3 m-80 -121.45 145.72 47.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.49 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 23.3 t -67.19 143.46 56.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.2 mp -74.19 -7.37 52.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -41.68 -36.0 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 109' ' ' ASP . 1.2 t0 -41.6 -43.85 2.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.476 ' CB ' HD13 ' A' ' 86' ' ' ILE . 35.2 t -90.95 -33.41 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 114' ' ' LEU . 94.5 m-85 -133.28 80.6 1.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -39.33 -44.2 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 60.3 p -60.66 -37.37 81.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 111' ' ' PHE . 21.8 tp -99.52 95.09 6.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.27 66.93 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.56 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 13.3 t -118.79 -178.83 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.49 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 9.4 p -147.47 166.99 25.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.581 HD12 ' CD2' ' A' ' 50' ' ' PHE . 1.7 mm? -77.48 94.87 4.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.465 ' HG3' ' CA ' ' A' ' 48' ' ' GLY . 6.0 mt-30 -75.71 -71.58 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -143.35 153.35 59.16 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 163.31 38.74 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 2.279 . . . . 0.0 112.363 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.587 ' CE1' ' HG3' ' A' ' 123' ' ' LYS . 8.7 p90 -78.59 -41.14 32.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.587 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 21.8 mttm -62.39 -26.28 68.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.4 tt0 -31.26 128.39 0.29 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 110.958 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 151.92 69.49 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.691 2.261 . . . . 0.0 112.314 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 127' ' ' LYS . 9.3 tp10 -89.27 156.68 18.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.471 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 2.7 mppt? -98.54 84.21 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 20.6 mmt85 -64.2 104.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 37.7 p -130.99 158.58 39.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.413 HD11 ' C ' ' A' ' 130' ' ' ILE . 2.7 pp -87.3 174.1 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.158 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.1 t -83.38 91.87 7.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -84.72 163.35 19.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 41.5 t -104.77 -50.57 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 55.36 73.12 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 148.68 65.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.307 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.0 m -87.04 121.22 29.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.9 t -169.35 165.66 10.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.512 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 1' ' ' GLY . 16.8 m -35.71 117.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 m -78.52 100.3 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.15 107.61 3.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.1 p -60.51 167.87 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 110.849 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 p -103.36 177.74 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.41 -39.62 2.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -100.99 -45.71 5.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.44 29.05 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.067 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.27 157.87 36.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.01 178.29 7.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.056 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -44.84 112.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 14' ' ' ASN . 31.9 mt-30 -92.03 93.46 8.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 13' ' ' GLN . 82.0 m-20 36.37 43.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.582 ' O ' ' CG ' ' A' ' 15' ' ' TRP . 5.4 t-105 -96.28 1.22 51.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.435 ' O ' ' C ' ' A' ' 17' ' ' GLU . 8.9 t-105 -91.14 151.9 20.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 16' ' ' TRP . 57.3 mm-40 -35.85 -40.59 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 178.6 149.15 7.97 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 158.68 56.18 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.647 2.231 . . . . 0.0 112.39 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.4 Cg_endo -69.74 -176.28 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' A' ' 20' ' ' PRO . 4.2 tt0 31.57 54.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -56.04 103.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.569 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 96.3 mt -97.76 -19.19 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.2 m -60.29 -37.66 81.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 26' ' ' HIS . 16.4 m -53.5 -20.22 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.609 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 36.9 m-70 -78.8 157.08 28.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.8 mt -83.55 -33.58 25.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.609 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 7.3 p-90 -82.99 18.95 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.569 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 8.4 t80 -115.06 96.03 5.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.567 ' HB1' ' CZ ' ' A' ' 122' ' ' PHE . . . -97.0 37.18 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 34.4 -147.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 94.8 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.366 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.504 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 34.1 ttp -126.59 137.13 53.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -78.27 153.17 32.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.486 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 35.4 ttp180 -43.17 -59.16 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . -37.33 -63.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.97 -54.48 3.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.27 76.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.735 0.302 . . . . 0.0 111.117 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -70.49 -27.85 64.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 t -91.04 -23.94 20.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.504 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 19.2 mt -77.16 -58.44 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.104 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.455 ' HA ' ' CG ' ' A' ' 45' ' ' ARG . 30.7 mt -68.93 -19.49 64.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.33 -48.28 18.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -86.02 -32.31 21.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.455 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 20.9 mmt180 -47.23 171.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -93.71 135.78 34.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' SER . 3.3 p-10 -37.02 124.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.432 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 113.6 -21.51 16.55 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.0 m -64.92 106.92 1.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.125 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.524 ' CG ' HD13 ' A' ' 118' ' ' LEU . 21.7 p90 -95.24 156.01 16.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.438 HD11 ' C ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -152.83 130.71 11.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.6 t -100.65 129.95 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 6.9 ptt-85 -126.14 149.26 49.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.496 ' O ' ' C ' ' A' ' 55' ' ' ARG . 12.0 tt0 -118.94 92.53 3.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 57' ' ' LYS . 20.1 mtp180 -29.96 134.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.434 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 83.0 t -51.54 84.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 55' ' ' ARG . 0.5 OUTLIER -164.18 171.4 15.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.74 -72.03 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.488 ' O ' ' C ' ' A' ' 60' ' ' ALA . . . -116.38 28.52 8.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' A' ' 59' ' ' ALA . . . -30.94 133.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 62' ' ' PHE . 49.1 mt-10 -59.51 95.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.407 ' CZ ' ' OE1' ' A' ' 54' ' ' GLN . 56.0 m-85 -41.81 164.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.432 ' N ' HD13 ' A' ' 77' ' ' ILE . . . -156.86 142.87 17.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.4 mt -109.97 111.22 35.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 4.3 t -109.33 131.25 55.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.48 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -138.1 162.7 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.434 ' HE3' ' C ' ' A' ' 70' ' ' VAL . 20.3 tptt -84.44 113.62 21.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.561 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 18.3 t80 -144.43 140.93 29.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.521 ' C ' HG13 ' A' ' 70' ' ' VAL . 2.5 t30 51.87 31.15 7.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.533 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.9 OUTLIER 65.44 25.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.0 pt-20 -143.11 135.68 27.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 68.0 t -78.26 98.62 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -83.43 156.88 22.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.486 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 49.7 m-70 -119.25 146.95 44.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.59 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.416 ' CG2' HD12 ' A' ' 86' ' ' ILE . 4.1 mm -126.9 97.17 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -56.08 126.18 24.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.432 HD13 ' N ' ' A' ' 63' ' ' ALA . 95.3 mt -103.23 116.2 46.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 mtm -94.18 142.36 27.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.9 p -120.25 133.98 55.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.16 118.2 9.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 68.46 25.01 6.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.22 -13.93 65.86 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.1 mt -79.16 153.52 30.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -114.49 125.96 54.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.408 ' HB3' ' HA ' ' A' ' 91' ' ' ALA . 25.3 ptt85 -162.15 135.94 6.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.416 HD12 ' CG2' ' A' ' 75' ' ' ILE . 5.6 pt -82.25 -14.41 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.423 ' HG1' ' N ' ' A' ' 88' ' ' GLU . 6.8 t -140.48 147.67 39.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.423 ' N ' ' HG1' ' A' ' 87' ' ' THR . 15.8 pt-20 -77.66 47.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -112.65 -43.3 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.572 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.4 tmtt? -154.5 121.11 5.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.408 ' HA ' ' HB3' ' A' ' 85' ' ' ARG . . . -99.78 149.22 23.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.038 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.572 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 8.9 m-85 -124.48 166.76 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -59.8 -46.84 87.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.7 179.9 28.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.453 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.3 mm? -52.68 -62.36 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.4 m -32.41 -44.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -75.76 -58.37 3.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 92' ' ' PHE . 1.6 tm? -43.82 -48.25 8.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.457 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 57.4 t -64.76 -45.14 96.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -49.73 -44.65 48.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.475 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 43.3 t80 -62.0 -49.4 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.473 ' HB3' ' CD2' ' A' ' 118' ' ' LEU . 11.3 m-85 -65.57 -23.08 66.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.464 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 79.0 mt-30 -68.61 -11.4 60.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.467 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.1 pt20 -117.8 -20.18 8.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.467 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 12.7 m-80 -123.73 146.02 48.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.472 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 9.8 t -61.68 147.24 46.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 107' ' ' LEU . 1.2 mm? -77.45 -11.98 59.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -41.93 -34.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -37.98 -38.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.1 t -101.66 -32.19 10.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 114' ' ' LEU . 92.1 m-85 -131.06 80.73 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.9 OUTLIER -41.53 -33.08 0.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.458 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 36.1 t -69.83 -38.36 76.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 111' ' ' PHE . 30.9 tp -96.82 96.39 8.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.944 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.11 71.91 1.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.561 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 10.6 t -125.99 -179.36 4.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.18 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 8.0 p -148.44 151.81 35.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.524 HD13 ' CG ' ' A' ' 50' ' ' PHE . 2.5 mm? -61.96 96.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.432 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.2 mt-30 -75.97 -72.87 0.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -144.08 153.47 56.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.656 0.741 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 162.7 41.08 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.241 . . . . 0.0 112.313 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.583 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 8.3 p90 -75.68 -35.94 60.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.583 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 16.3 mtmt -70.35 -23.06 62.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.3 tm-20 -32.77 133.43 0.3 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.674 0.75 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 126' ' ' GLU . 53.5 Cg_endo -69.77 -174.76 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.26 . . . . 0.0 112.335 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 125' ' ' PRO . 30.7 tt0 -34.73 136.65 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.74 147.26 23.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -174.92 157.16 2.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 32.1 p -40.32 104.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 5.7 tp -138.57 143.57 32.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 88.9 p -147.9 113.76 5.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.8 ppt_? -107.47 166.05 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.3 m -147.06 172.04 14.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 75.83 90.03 0.23 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.53 18.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.262 . . . . 0.0 112.354 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.0 m -45.8 164.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.6 t -165.87 133.03 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -110.23 174.95 5.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -154.19 174.24 15.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.97 -150.34 18.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m 59.39 44.7 14.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.369 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -135.68 130.05 33.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.808 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.47 -143.01 3.83 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.25 162.53 25.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.25 128.33 56.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -123.83 142.54 51.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -127.33 170.98 11.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -142.38 113.37 7.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -75.96 165.46 24.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -122.24 104.48 9.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 41.8 p90 -114.04 45.73 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.446 ' CE2' ' OE1' ' A' ' 17' ' ' GLU . 36.2 t-105 -94.63 153.17 17.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 18' ' ' GLY . 24.7 pm0 -54.14 -30.49 49.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.466 ' N ' ' HG2' ' A' ' 17' ' ' GLU . . . 142.72 158.4 7.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 159.39 53.53 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.621 2.214 . . . . 0.0 112.372 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -168.7 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -50.88 178.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -93.96 78.03 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.505 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 38.0 mt -98.68 -24.08 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.415 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 3.0 m -57.96 -32.55 67.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.2 m -53.87 -30.39 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.505 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 27.7 m-70 -65.85 175.08 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.5 mt -96.53 -52.76 3.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.46 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 2.1 p-90 -58.99 -21.89 59.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.438 ' CE1' ' HB2' ' A' ' 23' ' ' LEU . 19.1 t80 -72.08 111.49 7.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.475 ' CB ' ' HE3' ' A' ' 33' ' ' MET . . . -116.48 35.63 4.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 37.69 -155.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 99.64 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.719 2.279 . . . . 0.0 112.32 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.475 ' HE3' ' CB ' ' A' ' 30' ' ' ALA . 33.1 ttp -127.97 139.7 52.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -70.71 160.97 31.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.563 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 29.9 ttp180 -53.6 -50.41 65.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.63 -64.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.27 -51.3 2.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.37 -35.66 81.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.74 0.305 . . . . 0.0 111.1 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.464 ' HA ' ' CG2' ' A' ' 72' ' ' VAL . 28.2 mt-10 -77.09 -22.93 52.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.4 t -95.15 -24.39 16.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.9 mt -76.08 -57.19 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.466 ' HA ' ' CG ' ' A' ' 45' ' ' ARG . 15.1 mt -75.05 -10.92 59.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.26 -50.1 40.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -85.54 -31.66 22.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.466 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 29.4 mmm180 -47.93 174.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.98 138.4 31.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -40.85 127.48 2.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.466 ' CA ' ' HG3' ' A' ' 119' ' ' GLN . . . 113.0 -20.52 19.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.532 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.2 m -65.15 106.49 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.363 . . . . 0.0 111.149 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.612 ' CD2' HD11 ' A' ' 118' ' ' LEU . 27.5 p90 -95.1 153.81 17.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.574 ' HB2' ' CD1' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -151.55 127.07 10.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.0 t -96.4 140.89 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 2.1 ptt-85 -145.18 167.37 22.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.467 ' NE2' ' CZ ' ' A' ' 62' ' ' PHE . 4.7 tt0 -103.04 174.83 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 56' ' ' VAL . 10.8 tpt180 -97.31 66.31 2.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 55' ' ' ARG . 30.3 t 35.52 40.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -159.08 151.88 21.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 59' ' ' ALA . 3.7 m-20 -60.92 135.11 57.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 33.99 44.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.064 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.45 -175.05 5.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -60.69 89.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.467 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 75.6 m-85 -49.56 159.97 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.447 ' O ' ' NH1' ' A' ' 53' ' ' ARG . . . -151.34 140.4 21.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 75' ' ' ILE . 53.9 mt -108.95 127.4 65.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 4.8 t -128.39 129.5 46.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.481 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -136.41 169.42 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -92.0 116.23 28.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.555 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 15.1 t80 -144.69 143.11 30.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.513 ' O ' HG22 ' A' ' 70' ' ' VAL . 7.3 t30 51.09 33.6 9.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.552 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 65.28 25.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -143.1 139.38 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 39' ' ' GLU . 64.6 t -79.41 98.07 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -82.96 157.63 22.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.563 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 6.1 m-70 -128.62 155.26 45.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.617 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 64' ' ' ILE . 33.5 mt -138.4 126.83 30.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.138 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -76.21 137.82 40.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.415 ' CD1' HG13 ' A' ' 64' ' ' ILE . 95.7 mt -110.7 131.12 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.2 mtm -106.57 158.52 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 p -134.34 139.75 45.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -158.91 123.48 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 66.66 24.96 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.35 21.43 58.54 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.7 mt -113.43 172.82 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.595 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 38.6 m-85 -134.95 125.74 27.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.405 ' HB3' ' HA ' ' A' ' 91' ' ' ALA . 5.8 ptt-85 -161.83 128.84 3.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.7 pt -71.92 -20.12 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.4 t -137.18 151.63 49.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.81 47.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -112.0 -37.04 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 22.6 tptt -161.3 130.19 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.952 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.484 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -111.43 158.56 18.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.081 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.555 ' CE1' HD21 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -138.53 158.64 43.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.14 -58.3 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.417 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -143.99 -179.52 20.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.595 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.0 mm? -49.51 -59.5 3.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 95' ' ' LEU . 16.7 m -32.82 -47.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -72.2 -60.98 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.603 HD13 ' CD2' ' A' ' 102' ' ' TYR . 1.9 tm? -41.08 -49.49 3.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.3 t -64.74 -42.41 94.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -51.62 -35.53 42.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.53 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 30.9 t80 -73.87 -58.4 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.603 ' CD2' HD13 ' A' ' 98' ' ' LEU . 22.0 m-30 -55.31 -12.23 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.931 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.469 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 50.6 mt-30 -73.62 -22.6 59.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.944 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.585 ' HG2' ' ND2' ' A' ' 105' ' ' ASN . 8.3 pt20 -115.34 -9.31 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.585 ' ND2' ' HG2' ' A' ' 104' ' ' GLN . 0.1 OUTLIER -126.98 118.87 25.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.481 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 46.6 t -46.89 149.4 0.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.413 ' N ' ' CD2' ' A' ' 107' ' ' LEU . 1.5 mm? -76.62 -11.15 59.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -43.16 -26.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.78 -39.49 25.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 14.4 t -98.43 -33.02 11.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -133.39 85.99 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 113' ' ' SER . 4.1 pttp -45.81 -28.91 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.464 ' N ' ' HG3' ' A' ' 112' ' ' LYS . 51.6 p -72.78 -33.87 66.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 12.7 tp -99.32 92.95 5.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.58 77.51 2.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.555 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 15.0 t -130.76 -176.84 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.481 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 1.9 p -153.15 149.32 27.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.612 HD11 ' CD2' ' A' ' 50' ' ' PHE . 2.6 mm? -63.42 91.07 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.466 ' HG3' ' CA ' ' A' ' 48' ' ' GLY . 6.9 mt-30 -74.07 -72.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.963 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -142.0 151.36 58.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.692 0.758 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 163.5 38.02 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 2.247 . . . . 0.0 112.401 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.59 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 15.6 p90 -75.94 -34.74 59.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.59 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 21.6 mttt -71.57 -23.71 61.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.5 tm-20 -32.6 134.56 0.28 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.667 0.746 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 126' ' ' GLU . 53.7 Cg_endo -69.77 149.12 66.41 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.721 2.281 . . . . 0.0 112.344 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 125' ' ' PRO . 40.4 tt0 -34.35 142.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -56.09 -48.86 75.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -70.0 77.15 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.1 t -146.15 116.31 7.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 42.2 mt -68.66 85.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 60.7 p -147.61 176.95 9.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -116.16 100.65 8.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 88.0 p -132.71 134.03 44.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -153.93 130.31 2.89 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.433 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -24.57 29.44 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.753 2.302 . . . . 0.0 112.285 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 88.1 p -124.75 96.41 4.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 80.0 p -48.59 -45.03 37.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 m -76.4 153.1 35.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 110.822 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -163.14 130.91 3.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.14 140.23 16.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 m -156.11 128.01 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.921 0.391 . . . . 0.0 110.834 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -113.52 155.72 24.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.67 73.56 0.42 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -154.61 159.76 41.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.337 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.57 99.13 8.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -141.98 156.31 45.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.35 28.31 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -114.67 45.16 1.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -80.2 44.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -122.08 81.33 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 10.1 p-90 -106.7 37.77 2.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -127.85 140.62 51.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -41.77 -44.71 3.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -136.66 179.5 17.87 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 123.21 9.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -166.94 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.0 mp0 58.23 50.98 8.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.73 94.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.798 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.55 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 31.4 mt -98.36 -20.1 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.1 p -59.46 -35.9 74.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 m -56.5 -31.62 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.564 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 34.7 m-70 -66.92 160.09 26.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -87.86 -34.27 18.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.564 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 7.0 p-90 -81.57 19.06 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.546 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 20.3 t80 -113.46 93.22 4.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.473 ' CB ' ' HE3' ' A' ' 33' ' ' MET . . . -91.09 25.4 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 40.64 -142.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 88.28 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.711 2.274 . . . . 0.0 112.361 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.473 ' HE3' ' CB ' ' A' ' 30' ' ' ALA . 25.2 ttp -124.83 141.96 51.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -88.36 168.81 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.528 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 48.0 ttp180 -54.48 -54.25 43.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.66 -60.93 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.07 -52.34 6.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.522 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.472 ' CB ' HD23 ' A' ' 51' ' ' LEU . . . -61.87 -40.99 97.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -67.44 -27.06 66.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.4 t -93.03 -19.38 21.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.0 mt -84.67 -55.78 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.143 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.1 mt -75.0 -15.25 60.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.28 -45.24 62.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -89.38 -31.34 17.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -46.86 173.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.1 m -92.85 133.79 35.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.4 OUTLIER -36.56 118.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.428 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 119.73 -20.52 9.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.538 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.463 ' CG2' ' HA ' ' A' ' 122' ' ' PHE . 5.6 m -64.9 101.62 0.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.761 0.315 . . . . 0.0 111.186 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.53 ' CG ' HD12 ' A' ' 118' ' ' LEU . 23.8 p90 -91.63 152.02 20.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.567 ' CD1' ' C ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -150.29 131.81 14.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.6 t -100.32 140.98 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.134 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 3.9 ptt-85 -147.16 167.88 23.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.78 172.03 7.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 56' ' ' VAL . 14.4 mmt180 -80.63 43.07 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 55' ' ' ARG . 11.1 m 37.24 54.97 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.176 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 58' ' ' ASP . 15.3 mttm -160.16 144.99 14.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 57' ' ' LYS . 5.3 m-20 -32.94 117.43 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 36.72 45.79 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 57' ' ' LYS . . . -68.17 168.09 12.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -60.09 110.47 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -68.28 165.33 18.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.78 140.44 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.124 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 74.1 mt -103.75 115.76 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 2.5 t -120.29 129.34 53.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.488 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -139.44 162.54 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -86.09 116.29 24.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.573 ' CE1' ' HB ' ' A' ' 116' ' ' THR . 13.6 t80 -143.85 142.69 30.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.511 ' O ' HG22 ' A' ' 70' ' ' VAL . 20.2 t30 50.82 33.57 8.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.555 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 65.25 25.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.167 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 68' ' ' TYR . 3.8 pt-20 -141.85 138.44 32.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 66.5 t -79.63 98.97 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -82.98 156.96 23.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.528 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 7.7 m-70 -131.22 150.75 52.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.642 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.47 ' CG2' HD13 ' A' ' 86' ' ' ILE . 54.5 mt -133.86 127.51 52.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.155 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.59 135.08 38.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 88.4 mt -110.55 127.98 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.7 mtm -105.83 157.61 17.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 p -129.63 141.87 50.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.151 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.14 124.72 3.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 65.88 25.03 11.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.66 19.32 64.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 mt -111.48 168.58 9.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -129.66 122.89 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.466 ' NE ' ' HB1' ' A' ' 91' ' ' ALA . 14.4 ptt180 -161.89 129.53 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.47 HD13 ' CG2' ' A' ' 75' ' ' ILE . 41.9 pt -68.88 -23.15 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.8 t -133.08 149.62 52.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -78.33 48.01 0.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -109.29 -45.04 3.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.569 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.8 tmtt? -154.93 116.89 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.466 ' HB1' ' NE ' ' A' ' 85' ' ' ARG . . . -94.05 154.29 17.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.569 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 9.2 m-85 -129.88 158.83 38.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.45 ' NH1' ' HB3' ' A' ' 93' ' ' ARG . 4.7 mmm180 -52.23 -42.02 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.68 175.4 36.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.1 mm? -48.17 -59.14 3.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.92 0.391 . . . . 0.0 110.946 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 95' ' ' LEU . 10.2 m -32.66 -42.37 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -79.75 -58.3 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.544 HD23 ' CD1' ' A' ' 92' ' ' PHE . 2.1 tm? -43.03 -44.51 4.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.464 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 86.5 t -69.59 -43.98 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -53.3 -45.24 68.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.44 ' O ' ' HG3' ' A' ' 104' ' ' GLN . 55.1 t80 -61.9 -38.13 87.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.507 ' CD2' HD12 ' A' ' 98' ' ' LEU . 11.3 m-85 -77.08 -20.52 55.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.473 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 75.0 mt-30 -67.75 -20.72 65.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.521 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 4.8 pt20 -106.43 -24.09 12.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.521 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 26.0 m-80 -118.51 140.3 50.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.476 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 32.7 t -67.4 148.02 52.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 107' ' ' LEU . 2.1 mm? -72.16 -10.45 59.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.946 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 41.3 pttt -41.86 -44.1 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 27.3 t70 -44.93 -49.85 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 9.6 m -82.95 -37.21 24.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -134.91 87.21 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -43.01 -46.32 5.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.2 t -56.9 -33.29 66.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.6 tp -102.59 92.59 4.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -102.49 73.81 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.573 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 10.5 t -138.55 179.84 6.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.476 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 8.1 p -142.1 154.52 44.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.53 HD12 ' CG ' ' A' ' 50' ' ' PHE . 2.6 mm? -63.63 88.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.428 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.6 mt-30 -65.63 -73.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.465 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -144.05 154.74 58.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.688 0.756 . . . . 0.0 110.878 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 163.55 37.91 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.665 2.243 . . . . 0.0 112.314 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.585 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 12.8 p90 -77.87 -40.42 40.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.585 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 21.3 mttt -63.35 -25.58 68.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.3 tm-20 -32.71 133.15 0.3 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 152.11 69.26 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.335 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 127' ' ' LYS . 15.0 tt0 -41.68 164.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 126' ' ' GLU . 16.9 tttt -31.7 -54.16 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.1 ptt85 -45.71 104.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 10.5 t -165.03 161.72 19.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 9.9 pt -73.18 166.82 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 41.1 t -108.01 136.29 47.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -98.36 84.76 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.8 p -142.52 140.49 31.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 165.04 71.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 113.87 3.51 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 26.9 p -68.47 87.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 138' ' ' GLY . 3.9 t -105.05 162.65 13.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 137' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -133.98 157.6 45.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -171.46 125.07 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.62 172.49 45.01 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -119.72 162.4 19.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.3 m -109.13 150.02 28.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.86 122.76 0.66 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -135.49 112.06 9.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.01 102.94 14.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -126.95 144.04 51.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.47 158.16 16.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -120.89 125.07 46.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -134.06 132.49 40.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -114.66 138.22 50.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.6 p90 -79.85 44.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -109.68 150.22 28.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 18' ' ' GLY . 12.4 pt-20 -80.49 43.99 0.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -36.36 145.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.437 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 147.46 62.56 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.488 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.5 Cg_endo -69.76 -166.77 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.367 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.488 ' C ' ' O ' ' A' ' 20' ' ' PRO . 8.6 pm0 31.15 54.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -50.04 116.3 1.77 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.43 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 87.6 mt -87.33 -21.13 25.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.0 p -59.77 -30.07 68.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 m -57.23 -19.76 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.56 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 34.5 m-70 -80.21 167.54 20.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.6 mt -93.2 -33.06 14.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.56 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.1 p-90 -83.11 17.23 2.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.43 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 12.1 t80 -109.19 96.88 6.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.464 ' HB1' ' CZ ' ' A' ' 122' ' ' PHE . . . -99.26 30.58 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.112 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.9 -144.59 0.25 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 87.76 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.671 2.247 . . . . 0.0 112.345 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.463 ' HE1' ' CD1' ' A' ' 41' ' ' ILE . 14.7 ttm -115.86 143.74 44.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.419 ' N ' ' HG2' ' A' ' 33' ' ' MET . 36.1 mt-10 -89.77 159.08 17.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -47.62 -53.26 15.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.78 -56.58 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.78 -51.34 18.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.458 ' CB ' HD23 ' A' ' 51' ' ' LEU . . . -63.59 -37.5 87.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.753 0.311 . . . . 0.0 111.072 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -72.52 -27.1 62.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.6 m -92.01 -23.54 19.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.463 ' CD1' ' HE1' ' A' ' 33' ' ' MET . 31.9 mt -79.06 -57.95 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.9 mt -72.6 -10.37 59.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.8 -54.76 25.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -81.43 -32.55 32.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -45.58 168.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.3 m -86.63 133.06 33.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' SER . 4.1 p-10 -37.71 121.85 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.42 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 117.51 -19.83 11.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.9 m -65.22 100.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 111.12 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.491 ' CB ' HD13 ' A' ' 118' ' ' LEU . 25.1 p90 -86.83 152.03 22.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.55 ' CD1' ' C ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -149.29 130.23 14.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.0 t -98.23 131.87 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.9 ptt85 -135.68 162.62 32.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' O ' ' C ' ' A' ' 55' ' ' ARG . 24.7 tt0 -133.25 98.33 4.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 54' ' ' GLN . 42.6 mtp180 -32.89 147.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.7 m -73.78 81.5 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -162.38 165.92 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.01 101.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 60' ' ' ALA . . . 48.87 28.73 2.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 61' ' ' GLU . . . -32.18 106.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 60' ' ' ALA . 22.3 pt-20 -33.61 117.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -51.67 165.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.34 143.66 20.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.0 mt -106.83 124.69 62.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.0 m -126.64 128.81 47.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.472 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -135.68 167.93 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.098 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.453 ' CE ' ' HA ' ' A' ' 70' ' ' VAL . 24.9 tptt -89.57 116.35 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.597 ' CE1' ' HB ' ' A' ' 116' ' ' THR . 11.2 t80 -145.3 139.83 27.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.508 ' O ' HG21 ' A' ' 70' ' ' VAL . 2.7 t30 51.54 32.73 9.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.563 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 64.3 25.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -140.14 129.17 23.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.8 t -74.19 99.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -82.68 157.04 23.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -133.41 138.79 46.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.592 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.452 HG22 ' CD1' ' A' ' 86' ' ' ILE . 56.4 mt -124.89 127.73 72.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 138.54 41.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 97.4 mt -110.99 105.9 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.7 mtm -78.29 137.77 38.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 p -117.47 139.54 50.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.411 ' HB3' ' NH2' ' A' ' 85' ' ' ARG . . . -159.09 128.66 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 64.49 25.04 13.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.55 16.17 71.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.2 mt -106.93 165.61 11.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.446 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 72.6 m-85 -127.67 121.63 30.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.447 ' CD ' ' HB2' ' A' ' 91' ' ' ALA . 19.2 ptt85 -161.78 131.82 4.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.452 ' CD1' HG22 ' A' ' 75' ' ' ILE . 18.2 pt -74.09 -16.99 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.409 ' O ' ' HD2' ' A' ' 85' ' ' ARG . 5.1 t -136.36 144.5 44.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -77.59 45.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -112.4 -38.13 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.602 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.1 tmtm? -156.17 114.09 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.447 ' HB2' ' CD ' ' A' ' 85' ' ' ARG . . . -95.77 154.16 17.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.602 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 10.6 m-85 -127.74 160.8 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -57.82 -40.29 79.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.0 173.73 34.61 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.1 mm? -48.91 -61.74 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 95' ' ' LEU . 11.5 m -33.22 -45.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -74.01 -56.64 4.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.588 HD23 ' CD1' ' A' ' 92' ' ' PHE . 2.3 tm? -45.04 -49.83 11.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.452 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 46.1 t -62.48 -44.2 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -48.06 -47.08 34.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.462 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 32.1 t80 -61.86 -48.74 79.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.578 ' CE2' HD22 ' A' ' 98' ' ' LEU . 20.0 m-85 -68.18 -20.09 64.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.474 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 56.4 mt-30 -70.21 -11.42 60.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.958 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.466 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.1 pt20 -115.75 -21.41 9.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.466 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 13.2 m-80 -119.27 149.11 42.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.462 ' HB3' ' CE ' ' A' ' 108' ' ' LYS . 31.1 t -75.31 138.6 41.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.86 -13.34 32.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.462 ' CE ' ' HB3' ' A' ' 106' ' ' SER . 6.9 ptpt -41.8 -36.77 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -50.42 -45.73 55.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.406 ' SG ' HD11 ' A' ' 86' ' ' ILE . 3.8 m -85.15 -39.11 18.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 114' ' ' LEU . 92.6 m-85 -135.05 87.13 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 113' ' ' SER . 1.4 tmmt? -33.96 -64.31 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.456 ' N ' ' HD2' ' A' ' 112' ' ' LYS . 8.9 m -40.3 -40.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 111' ' ' PHE . 3.8 tp -92.17 97.11 10.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 115' ' ' ASP . 29.0 t0 -111.27 65.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.597 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 14.6 t -129.01 -175.65 3.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 39.2 p -144.34 159.28 42.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.491 HD13 ' CB ' ' A' ' 50' ' ' PHE . 2.4 mm? -69.78 89.23 0.56 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.42 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 11.3 mt-30 -67.21 -74.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.484 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 1.1 m-85 -142.36 155.58 64.36 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.649 0.738 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.69 18.36 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.661 2.241 . . . . 0.0 112.309 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.586 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 17.2 p90 -81.01 -37.99 28.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.586 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 28.6 mttt -67.59 -24.22 65.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.2 tt0 -32.99 128.06 0.38 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.721 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 149.59 67.01 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 127' ' ' LYS . 19.7 tp10 -54.07 -13.48 0.82 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 126' ' ' GLU . 10.5 tttt -34.81 104.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.5 105.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 80.6 p -124.34 98.49 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 14.7 tt -56.56 -40.96 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 30.5 p -128.32 92.07 3.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.6 11.35 3.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 70.0 m -76.14 124.16 26.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 146.94 176.0 20.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 167.75 23.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.9 t -132.88 164.32 27.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 49.4 p -83.21 129.13 34.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.512 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -165.13 139.81 5.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 p -139.27 176.16 8.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.05 110.89 0.84 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -103.95 155.73 18.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 0.0 110.863 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.4 p -88.8 -32.7 17.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.53 75.54 0.1 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -172.68 146.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.67 168.05 28.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.092 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.18 150.92 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.52 122.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.087 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -100.78 105.2 16.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.433 ' O ' ' CD ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -125.54 62.99 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -45.14 146.0 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.544 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 11.3 p-90 -123.52 37.28 4.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -121.99 142.44 50.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -47.8 -43.87 28.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -159.17 -162.66 12.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 155.55 65.55 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 174.37 9.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.662 2.242 . . . . 0.0 112.35 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -94.06 -178.32 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -111.93 80.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 51.4 mt -98.57 -22.4 15.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.432 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 62.3 p -57.21 -36.4 70.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.8 m -55.91 -21.23 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.088 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.609 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 26.1 m-70 -72.85 162.69 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.9 mt -89.64 -34.76 16.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.609 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.3 p-90 -80.64 15.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.432 ' CD2' ' HA ' ' A' ' 24' ' ' SER . 6.8 t80 -106.09 95.75 5.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -99.77 34.77 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.07 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 34.28 -147.64 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 134.48 28.15 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.25 . . . . 0.0 112.34 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.426 ' CE ' ' CD1' ' A' ' 41' ' ' ILE . 14.7 ttp -172.61 148.85 2.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.824 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.424 ' HA ' ' NH2' ' A' ' 55' ' ' ARG . 4.6 mp0 -84.61 171.31 12.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.559 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 31.8 ttp180 -60.75 -50.19 74.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.54 -57.68 3.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.1 -62.89 3.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.434 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.466 ' HB1' ' CD ' ' A' ' 53' ' ' ARG . . . -50.52 -39.65 49.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 111.121 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -67.65 -23.16 65.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -95.74 -20.27 19.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.426 ' CD1' ' CE ' ' A' ' 33' ' ' MET . 84.2 mt -78.53 -51.5 17.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.471 ' HA ' ' CG ' ' A' ' 45' ' ' ARG . 10.1 mt -79.58 -10.47 59.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.35 -41.69 39.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -93.71 -27.22 16.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.471 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 5.5 mmp_? -48.41 176.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.23 142.47 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -45.82 101.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.477 ' CA ' ' HG3' ' A' ' 119' ' ' GLN . . . 132.92 -18.19 4.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.483 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.5 m -64.76 100.84 0.42 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.8 0.333 . . . . 0.0 111.117 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.571 ' CD2' HD12 ' A' ' 118' ' ' LEU . 21.0 p90 -88.0 156.31 19.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.46 HD22 ' CD2' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -154.96 128.02 8.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.926 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.0 t -94.97 130.38 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.466 ' CD ' ' HB1' ' A' ' 38' ' ' ALA . 27.8 ptt85 -135.91 125.82 25.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.498 ' NE2' ' N ' ' A' ' 60' ' ' ALA . 4.9 tp60 -84.11 132.13 34.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.497 ' HB3' ' CB ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -45.95 172.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.445 ' C ' ' HG2' ' A' ' 57' ' ' LYS . 2.2 t -75.41 51.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.491 ' HB2' ' CB ' ' A' ' 60' ' ' ALA . 23.9 mmtp -147.9 159.07 44.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -44.97 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.06 49.03 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.056 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.498 ' N ' ' NE2' ' A' ' 54' ' ' GLN . . . -58.38 -177.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 62' ' ' PHE . 29.0 mt-10 -81.85 92.01 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.412 ' O ' ' O ' ' A' ' 61' ' ' GLU . 58.2 m-85 -37.87 158.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -147.07 136.12 22.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.9 mt -105.94 110.38 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 51' ' ' LEU . 6.9 m -111.77 132.91 54.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.468 ' CB ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -135.74 167.13 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.151 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.643 ' HZ3' ' N ' ' A' ' 70' ' ' VAL . 3.9 tptp -89.34 108.13 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.463 ' N ' ' HZ1' ' A' ' 67' ' ' LYS . 17.1 t80 -146.23 155.07 42.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.507 ' O ' HG23 ' A' ' 70' ' ' VAL . 9.8 t-20 49.67 36.76 11.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.643 ' N ' ' HZ3' ' A' ' 67' ' ' LYS . 0.7 OUTLIER 58.35 24.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 5.1 pt-20 -147.86 151.3 35.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 46.7 t -86.55 93.3 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 65' ' ' SER . 10.9 mmtt -82.38 152.72 26.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.559 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 7.9 m-70 -121.15 152.6 38.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.621 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.1 mm -124.44 119.96 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.108 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -73.66 121.02 20.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.7 mt -97.28 127.42 49.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.4 mtm -102.93 155.26 18.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.84 139.29 51.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.157 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.16 126.82 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 66.39 25.08 10.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.26 15.61 76.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.1 mt -110.59 165.64 11.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -125.48 127.73 46.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -162.29 129.4 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.535 HG12 ' CZ ' ' A' ' 102' ' ' TYR . 5.4 pt -68.9 -19.05 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.5 t -142.94 152.26 41.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -76.8 47.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -111.24 -34.69 6.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.401 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 16.8 tptt -163.56 124.01 2.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -103.85 151.6 22.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 101' ' ' PHE . 3.5 m-85 -130.06 167.37 18.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 55.2 mmt-85 -57.56 -43.35 84.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.01 179.89 34.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.5 mm? -45.69 -65.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.869 0.366 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 95' ' ' LEU . 4.5 m -32.23 -55.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.417 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 8.0 mm-40 -62.62 -54.47 39.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.668 ' CD2' ' CE2' ' A' ' 102' ' ' TYR . 1.3 tm? -49.73 -60.9 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.417 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 45.2 t -54.92 -46.55 76.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -47.37 -37.66 11.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.469 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 60.2 t80 -71.68 -55.57 7.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.668 ' CE2' ' CD2' ' A' ' 98' ' ' LEU . 21.2 m-85 -56.46 -16.63 6.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.97 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.455 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 50.8 mt-30 -72.35 -19.56 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.481 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 3.6 pt20 -110.63 -15.47 13.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.481 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 14.0 m-80 -122.48 148.85 44.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.492 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 2.8 m -69.19 147.08 51.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.424 ' N ' HD21 ' A' ' 107' ' ' LEU . 1.3 mm? -78.97 -14.09 59.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -42.18 -35.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -40.36 -41.09 1.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.844 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.1 t -96.94 -33.59 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 112' ' ' LYS . 93.5 m-85 -134.23 82.28 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 111' ' ' PHE . 1.7 ttmm -37.86 -62.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.1 t -41.15 -40.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 25.9 tp -93.79 96.59 9.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.79 66.09 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.452 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 11.6 t -124.1 -174.49 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.492 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 1.5 p -152.24 165.95 33.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.571 HD12 ' CD2' ' A' ' 50' ' ' PHE . 1.6 mm? -73.25 95.45 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.477 ' HG3' ' CA ' ' A' ' 48' ' ' GLY . 8.4 mt-30 -76.34 -72.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -142.53 154.1 62.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.726 . . . . 0.0 110.913 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 168.32 21.88 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.588 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 10.9 p90 -80.56 -35.8 33.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.588 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 18.5 mtmt -70.77 -23.07 62.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.1 tm-20 -32.06 133.01 0.28 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.727 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 126' ' ' GLU . 53.6 Cg_endo -69.75 150.52 68.41 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.733 2.288 . . . . 0.0 112.358 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 125' ' ' PRO . 53.6 tt0 -34.99 137.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -72.45 87.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -118.9 130.06 55.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 26.0 p -78.3 84.51 4.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 23.3 pt -89.08 178.44 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 54.5 p -42.49 -47.19 5.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -77.29 48.37 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 18.7 t -46.08 100.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.94 133.08 0.68 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 136.31 32.75 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.743 2.295 . . . . 0.0 112.352 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.7 t -78.54 155.78 29.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.3 m 53.76 41.87 31.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 p -172.12 151.6 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.873 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -166.27 137.54 3.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.01 160.02 14.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 t -131.96 144.22 50.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -131.06 173.77 10.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.2 83.18 1.43 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -102.63 136.44 42.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.314 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.79 -58.75 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 54.84 41.93 31.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.46 128.69 55.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.063 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -128.69 97.31 4.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -90.04 138.73 31.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -62.63 123.79 19.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.539 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 8.2 p-90 -110.35 37.41 2.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -93.6 140.08 30.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 18' ' ' GLY . 11.7 pt-20 -68.27 -44.59 75.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.441 ' N ' ' HG3' ' A' ' 17' ' ' GLU . . . 156.14 -172.98 34.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 139.69 40.64 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -173.26 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.358 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -40.95 160.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -87.59 93.33 9.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.513 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 78.3 mt -83.08 -19.89 35.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 t -59.64 -35.76 75.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.9 m -53.6 -30.71 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.648 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 35.9 m-70 -67.78 159.97 29.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.2 mt -86.89 -33.53 19.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.648 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.4 p-90 -82.27 19.4 1.21 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.454 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 9.5 t80 -113.4 94.89 5.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 31' ' ' GLY . . . -94.56 37.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.55 -151.53 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 107.17 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.486 ' HG2' ' N ' ' A' ' 34' ' ' GLU . 30.1 ttm -140.38 150.67 44.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.486 ' N ' ' HG2' ' A' ' 33' ' ' MET . 50.9 mt-10 -89.15 171.57 9.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.557 ' HD2' ' CE1' ' A' ' 74' ' ' HIS . 4.1 tpp85 -57.22 -65.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . -35.53 -54.92 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.1 -56.18 8.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.95 -33.4 70.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.712 0.291 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -74.17 -20.8 60.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 t -94.16 -24.36 17.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.436 ' CD1' ' HE1' ' A' ' 33' ' ' MET . 45.0 mt -76.24 -58.77 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.489 ' HA ' ' CG ' ' A' ' 45' ' ' ARG . 10.9 mt -72.02 -12.31 61.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.41 -40.76 50.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -95.25 -29.31 14.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.489 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 29.3 mmm180 -48.96 174.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -96.03 139.97 31.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.1 123.35 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.437 ' CA ' ' HG3' ' A' ' 119' ' ' GLN . . . 114.6 -21.71 14.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.7 m -65.57 100.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 111.113 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.584 ' CD2' HD11 ' A' ' 118' ' ' LEU . 23.7 p90 -88.45 155.7 19.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.556 ' HB2' ' CD1' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -154.11 130.55 10.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.8 t -94.17 130.01 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.43 ' NH2' ' HD3' ' A' ' 35' ' ' ARG . 24.3 ptt85 -124.67 147.49 48.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.486 ' OE1' ' CE2' ' A' ' 62' ' ' PHE . 12.2 tt0 -117.01 115.47 25.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' A' ' 54' ' ' GLN . 10.4 mmt180 -47.67 177.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.4 m -109.99 57.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ASP . 26.3 mtpt -140.92 169.77 16.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -35.91 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.96 -22.18 59.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.524 ' O ' ' C ' ' A' ' 61' ' ' GLU . . . 48.11 54.8 9.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.524 ' C ' ' O ' ' A' ' 60' ' ' ALA . 3.7 mt-10 -28.35 108.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.486 ' CE2' ' OE1' ' A' ' 54' ' ' GLN . 47.7 m-85 -66.44 155.68 36.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.63 139.79 16.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 75' ' ' ILE . 60.4 mt -100.63 122.18 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 8.6 t -119.97 131.38 55.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.483 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -140.09 168.88 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HD2' ' O ' ' A' ' 71' ' ' GLU . 16.2 tptm -90.4 112.07 23.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.53 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 18.0 t80 -139.27 143.79 38.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.606 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 8.4 t-20 50.9 31.08 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.606 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 1.0 OUTLIER 69.08 24.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -136.2 -179.59 5.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.0 t -118.16 92.02 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 65' ' ' SER . 18.8 mmtt -87.74 150.56 23.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.557 ' CE1' ' HD2' ' A' ' 35' ' ' ARG . 7.3 m-70 -120.49 155.12 34.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.604 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 64' ' ' ILE . 3.9 mm -128.62 109.4 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.159 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.09 138.46 37.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 83.5 mt -111.77 104.88 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.7 mtm -89.88 139.82 30.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 p -116.86 138.75 51.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -149.06 129.92 14.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.083 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 63.71 25.44 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.87 16.18 70.85 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.554 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.0 mt -108.91 168.95 8.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -122.94 123.72 41.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.456 ' NE ' ' HB2' ' A' ' 91' ' ' ALA . 18.9 ptt180 -161.39 129.31 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.569 HG12 ' CE2' ' A' ' 102' ' ' TYR . 5.7 pt -69.42 -20.85 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.9 t -136.55 148.31 47.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -77.5 45.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -113.13 -35.42 5.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.503 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 26.0 tptt -156.47 122.0 4.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.456 ' HB2' ' NE ' ' A' ' 85' ' ' ARG . . . -104.11 149.39 25.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.563 ' CE1' HD21 ' A' ' 98' ' ' LEU . 3.4 m-85 -129.41 164.48 23.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 34.9 mmm-85 -58.28 -46.26 86.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -151.14 179.39 27.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.6 mm? -49.45 -61.19 2.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.952 0.406 . . . . 0.0 110.937 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.3 m -33.05 -55.77 0.39 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -63.67 -54.14 40.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.572 ' CD2' ' CE2' ' A' ' 102' ' ' TYR . 1.2 tm? -48.74 -60.86 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.424 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 47.4 t -54.33 -44.5 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -47.41 -42.55 22.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.432 ' O ' ' CG ' ' A' ' 104' ' ' GLN . 27.5 t80 -66.64 -54.72 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.572 ' CE2' ' CD2' ' A' ' 98' ' ' LEU . 22.0 m-85 -60.63 -17.19 45.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.498 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 27.9 mt-30 -73.81 -10.4 59.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.516 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 1.7 pt20 -118.91 -20.17 8.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.516 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 8.8 m-80 -119.95 145.35 46.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.48 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 2.5 t -69.8 132.69 46.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.798 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.3 mp -62.7 -7.6 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -41.89 -30.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -50.74 -44.02 58.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.9 t -86.85 -34.95 19.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 114' ' ' LEU . 99.6 m-85 -134.89 81.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.63 -38.24 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 70.0 m -66.19 -37.04 84.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 111' ' ' PHE . 24.6 tp -98.85 93.91 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -98.31 75.17 2.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.53 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 12.6 t -129.01 169.54 14.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.48 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 3.9 p -138.85 162.07 35.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.584 HD11 ' CD2' ' A' ' 50' ' ' PHE . 2.0 mm? -72.58 91.94 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.437 ' HG3' ' CA ' ' A' ' 48' ' ' GLY . 6.2 mt-30 -72.43 -72.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' PHE . 1.2 m-85 -141.64 153.84 65.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.658 0.742 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 170.49 16.38 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 51' ' ' LEU . 23.1 p90 -81.02 -34.65 32.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.556 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 17.9 mtmt -75.51 -15.19 60.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.937 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 123' ' ' LYS . 1.8 tt0 -38.1 126.55 1.03 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.666 0.746 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 149.55 66.82 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 128' ' ' ARG . 19.3 tp10 -89.08 138.52 31.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 128' ' ' ARG . 20.1 pttt -35.45 -31.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -129.3 146.36 51.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 10.0 t -162.17 140.08 8.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.458 HG23 ' CG ' ' A' ' 132' ' ' ARG . 13.0 tt -108.99 44.46 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.164 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 130' ' ' ILE . 36.7 p 36.05 46.09 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.458 ' CG ' HG23 ' A' ' 130' ' ' ILE . 18.5 mmt85 -124.39 88.85 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 75.3 p -157.66 139.18 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 149.13 139.14 3.07 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 179.8 3.47 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.8 t -139.74 150.59 44.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 79.4 p -143.27 169.67 17.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -149.52 152.24 35.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.354 . . . . 0.0 110.902 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -140.73 108.93 5.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.02 62.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.542 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 m -109.63 96.32 6.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.942 0.401 . . . . 0.0 110.817 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.1 p -80.0 106.3 11.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.19 131.18 1.26 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -98.09 151.92 19.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.78 102.86 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -91.49 165.03 13.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -113.2 175.31 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -123.27 130.05 52.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -146.49 108.94 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -55.35 148.45 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.573 ' O ' ' CG ' ' A' ' 15' ' ' TRP . 5.8 t-105 -112.12 0.31 15.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 15.4 t-105 -90.74 165.65 13.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -80.79 42.17 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.22 169.22 39.34 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.504 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 134.64 28.48 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.656 2.237 . . . . 0.0 112.378 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -179.25 2.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.376 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -54.31 178.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -100.48 94.27 6.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.539 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 64.5 mt -97.95 -18.87 18.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.7 p -60.55 -35.35 75.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -57.82 -22.36 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.565 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 29.9 m-70 -74.35 155.49 38.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.7 mt -83.75 -31.96 25.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.565 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 7.9 p-90 -84.6 17.46 2.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.456 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 17.9 t80 -112.48 94.06 4.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.95 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.489 ' HB1' ' CZ ' ' A' ' 122' ' ' PHE . . . -94.34 33.28 1.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.72 -141.44 0.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.531 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 94.36 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.374 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.504 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 19.3 ttp -129.84 135.72 48.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -83.24 160.92 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.55 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 23.4 ttp-105 -47.39 -55.41 8.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.06 -62.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' ILE . . . -43.32 -53.84 5.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.51 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.19 -38.62 73.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.41 ' HA ' ' CG2' ' A' ' 72' ' ' VAL . 19.9 mt-10 -73.01 -27.92 62.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.4 t -93.42 -17.22 23.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.504 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 38.2 mt -84.81 -57.59 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.472 ' HA ' ' CG ' ' A' ' 45' ' ' ARG . 30.7 mt -75.55 -11.95 60.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.44 -56.4 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -80.51 -33.08 36.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.472 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 27.2 mmt180 -42.98 164.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.73 135.63 34.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.99 117.86 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.419 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 122.62 -20.97 7.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 122' ' ' PHE . 10.1 m -64.82 102.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 111.162 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.535 ' CG ' HD12 ' A' ' 118' ' ' LEU . 23.0 p90 -92.63 155.16 17.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.447 ' HB2' ' CD1' ' A' ' 122' ' ' PHE . 0.5 OUTLIER -153.9 132.26 11.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.0 t -105.25 127.36 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 -121.31 165.73 15.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.458 ' O ' ' C ' ' A' ' 55' ' ' ARG . 25.1 tt0 -132.18 107.85 8.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HB2' ' CB ' ' A' ' 60' ' ' ALA . 1.3 mpt_? -33.48 142.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.6 m -68.23 72.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -165.33 160.74 18.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.08 116.01 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 39.66 33.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 55' ' ' ARG . . . -43.55 126.82 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -39.97 122.51 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -68.44 168.02 13.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.419 ' N ' HD11 ' A' ' 77' ' ' ILE . . . -154.91 143.82 20.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 75' ' ' ILE . 64.3 mt -107.06 122.3 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.6 t -128.14 130.41 48.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.495 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -138.49 165.29 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.46 ' HE3' ' C ' ' A' ' 70' ' ' VAL . 24.7 tptt -83.99 115.29 22.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.58 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 17.1 t80 -145.19 142.64 29.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.512 ' O ' HG21 ' A' ' 70' ' ' VAL . 10.1 t-20 51.28 32.25 8.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.552 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 64.72 24.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.196 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.0 pt-20 -142.05 133.49 26.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.41 ' CG2' ' HA ' ' A' ' 39' ' ' GLU . 65.5 t -74.64 98.04 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -82.64 157.5 23.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.55 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 2.9 m-70 -134.38 144.82 48.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.566 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.495 ' CG2' HD12 ' A' ' 86' ' ' ILE . 55.9 mt -127.76 130.71 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.39 140.88 38.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.419 HD11 ' N ' ' A' ' 63' ' ' ALA . 94.5 mt -112.15 131.49 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.1 mtm -107.19 142.1 37.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.1 p -116.76 137.43 52.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.28 126.22 5.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.062 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 65.91 24.98 11.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.77 19.78 64.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mt -112.44 170.35 8.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.932 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -131.43 121.62 24.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.468 ' HD3' ' CA ' ' A' ' 91' ' ' ALA . 13.4 ptt180 -162.03 129.74 4.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.841 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.512 HD11 ' CB ' ' A' ' 110' ' ' CYS . 13.7 pt -69.05 -23.35 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.1 t -131.53 147.49 52.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -78.11 46.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.459 ' HA ' ' CE ' ' A' ' 89' ' ' LYS . 1.9 mmpt? -109.17 -44.36 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.583 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.0 tmtt? -153.2 115.9 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.468 ' CA ' ' HD3' ' A' ' 85' ' ' ARG . . . -93.87 152.07 19.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.583 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 6.6 m-85 -128.68 141.69 51.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' PHE . 11.7 mmp_? -35.62 -48.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.17 179.02 29.05 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.5 mm? -51.33 -62.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.929 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.9 m -32.46 -42.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 5.9 mm-40 -75.71 -58.3 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.58 HD13 ' CD2' ' A' ' 102' ' ' TYR . 2.6 tm? -45.68 -41.78 10.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.6 t -71.39 -41.89 73.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -53.33 -33.03 51.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.532 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 22.6 t80 -73.01 -59.53 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.58 ' CD2' HD13 ' A' ' 98' ' ' LEU . 18.4 m-85 -56.29 -12.02 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.428 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 52.9 mt-30 -73.81 -22.09 59.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.592 ' HG2' ' ND2' ' A' ' 105' ' ' ASN . 4.9 pt20 -115.51 -6.62 12.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.592 ' ND2' ' HG2' ' A' ' 104' ' ' GLN . 0.2 OUTLIER -132.44 118.44 19.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.465 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 1.4 t -50.84 147.41 4.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -70.2 -11.57 60.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.3 pttt -42.14 -40.07 2.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -48.39 -48.3 36.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.512 ' CB ' HD11 ' A' ' 86' ' ' ILE . 3.6 m -84.75 -40.21 17.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 114' ' ' LEU . 95.5 m-85 -134.37 84.28 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -37.72 -64.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.5 t -39.74 -34.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 111' ' ' PHE . 6.3 tp -100.44 92.11 5.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.26 78.86 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.58 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 11.3 t -136.39 179.04 6.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 2.9 p -145.92 149.55 34.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.535 HD12 ' CG ' ' A' ' 50' ' ' PHE . 2.5 mm? -63.83 87.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.419 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 15.7 mt-30 -69.17 -74.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.428 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -140.95 153.74 67.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.661 0.743 . . . . 0.0 110.882 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 162.9 40.28 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.346 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.587 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 14.2 p90 -74.15 -35.08 64.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.587 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 7.7 mtmm -71.81 -23.36 61.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 123' ' ' LYS . 1.9 tm-20 -32.87 131.76 0.33 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.667 0.746 . . . . 0.0 110.888 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 126' ' ' GLU . 54.1 Cg_endo -69.77 148.72 65.65 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 125' ' ' PRO . 8.6 tp10 -34.49 137.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 128' ' ' ARG . 8.3 pttm -59.71 -32.86 70.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.467 ' N ' ' HG3' ' A' ' 127' ' ' LYS . 57.9 mtt180 -49.76 -39.22 37.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.7 t -150.25 113.0 4.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 19.3 mt -110.52 122.42 65.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 71.9 p -43.64 128.07 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -42.38 102.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.2 p -85.99 155.66 20.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -139.01 151.12 21.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 168.53 21.28 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.694 2.262 . . . . 0.0 112.35 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 27.2 t -136.18 116.3 13.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 t -57.61 99.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t -111.25 130.16 55.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -91.06 -59.93 2.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.72 135.78 2.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -119.7 42.24 2.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.825 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -87.59 163.5 16.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.55 107.23 3.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -43.19 -55.26 4.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.755 0.312 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.5 136.1 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -158.6 161.94 37.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.88 117.08 11.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -130.15 132.22 45.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -50.93 137.9 20.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -91.95 42.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.544 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 9.2 p-90 -88.29 37.43 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -108.77 -177.77 3.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -79.71 41.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.58 162.01 0.13 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 160.42 49.76 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.728 2.286 . . . . 0.0 112.358 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -172.46 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.635 2.223 . . . . 0.0 112.36 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.466 ' CG ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -43.35 167.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -79.24 96.74 6.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.564 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 83.4 mt -98.61 -25.3 14.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.42 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 47.2 t -57.29 -37.17 72.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.6 m -52.97 -31.54 17.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.636 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 19.9 m-70 -64.33 159.05 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.7 mt -85.06 -34.37 22.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.636 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.6 p-90 -82.58 20.59 1.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.475 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 7.7 t80 -113.79 97.01 6.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 122' ' ' PHE . . . -104.98 34.95 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.081 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 36.84 -154.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 91.85 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.361 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.47 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 24.9 ttp -112.43 145.32 40.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 35' ' ' ARG . 51.2 mt-10 -77.6 136.23 38.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.432 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 39.9 ttp180 -36.37 -53.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.67 -52.8 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -48.29 -56.06 9.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.535 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.476 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -56.22 -38.64 71.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.758 0.314 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 72' ' ' VAL . 43.8 mt-10 -69.67 -24.46 63.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.9 t -95.94 -22.76 17.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.47 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 19.4 mt -77.88 -55.48 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.2 mt -75.29 -10.41 59.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.52 -47.12 66.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -88.21 -31.56 19.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.4 mmp_? -49.64 173.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.3 137.77 32.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -39.41 125.14 1.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.436 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 114.81 -20.52 14.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.421 ' CG2' ' HA ' ' A' ' 122' ' ' PHE . 12.3 m -65.02 101.34 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 111.166 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.584 ' CD2' HD11 ' A' ' 118' ' ' LEU . 24.0 p90 -91.9 153.31 19.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.476 HD21 ' CB ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -150.26 125.91 10.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.4 ' CG2' HG12 ' A' ' 64' ' ' ILE . 10.1 t -96.61 126.7 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 35' ' ' ARG . 35.8 ptt85 -131.94 165.98 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.643 ' NE2' ' CZ ' ' A' ' 62' ' ' PHE . 3.9 tt0 -104.4 169.59 8.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.417 ' HG3' ' CG ' ' A' ' 61' ' ' GLU . 7.9 mmm180 -94.47 62.43 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 55' ' ' ARG . 21.1 t 36.9 45.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -159.55 164.19 34.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' ALA . 25.7 m-20 -73.22 136.49 44.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 35.3 38.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 62' ' ' PHE . . . -75.76 163.63 27.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.085 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.417 ' CG ' ' HG3' ' A' ' 55' ' ' ARG . 12.0 pt-20 -49.6 92.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.643 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 58.3 m-85 -51.96 167.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.4 ' N ' HD12 ' A' ' 77' ' ' ILE . . . -155.45 129.6 8.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.04 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.4 HG12 ' CG2' ' A' ' 52' ' ' VAL . 54.7 mt -97.58 112.43 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 22.8 m -109.92 123.79 50.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.487 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -132.26 165.49 31.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -91.48 114.89 27.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.486 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 14.0 t80 -145.53 143.0 29.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.528 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 3.7 t-20 50.89 33.92 9.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.53 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.9 OUTLIER 65.25 24.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.453 ' OE2' ' NZ ' ' A' ' 73' ' ' LYS . 5.2 pt-20 -143.92 144.79 31.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 39' ' ' GLU . 86.8 t -85.02 96.63 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' NZ ' ' OE2' ' A' ' 71' ' ' GLU . 25.9 mmtt -82.88 145.04 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -113.8 150.02 34.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.619 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.471 ' CG2' HD11 ' A' ' 86' ' ' ILE . 9.5 mm -126.06 95.88 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -50.52 124.2 10.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 63' ' ' ALA . 66.4 mt -101.5 124.08 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.8 mtm -104.47 140.99 37.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 p -115.77 130.11 56.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.4 121.54 11.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.06 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 64.75 25.08 12.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.23 -10.48 74.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.5 mt -84.38 150.67 25.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.505 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 46.2 m-85 -112.23 125.26 53.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.484 ' HD3' ' CB ' ' A' ' 91' ' ' ALA . 10.5 ptt180 -162.22 134.22 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.471 HD11 ' CG2' ' A' ' 75' ' ' ILE . 3.8 pt -75.39 -19.76 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.403 ' C ' ' H ' ' A' ' 89' ' ' LYS . 7.4 t -136.87 147.66 46.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -76.94 43.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 87' ' ' THR . 30.9 mtpt -113.05 -36.77 4.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.47 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 20.8 tptt -151.38 125.9 9.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.484 ' CB ' ' HD3' ' A' ' 85' ' ' ARG . . . -109.9 152.14 26.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.588 ' CE1' HD23 ' A' ' 98' ' ' LEU . 4.5 m-85 -132.85 157.4 45.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -50.91 -44.27 60.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -155.71 178.44 32.29 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.505 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.0 mm? -50.69 -64.58 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.887 0.375 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.4 m -32.01 -44.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -75.54 -61.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.593 HD21 ' CE2' ' A' ' 102' ' ' TYR . 2.3 tm? -43.35 -41.87 4.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.457 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 52.1 t -70.44 -40.84 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -51.72 -36.96 48.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.548 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 30.1 t80 -69.8 -57.77 4.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.593 ' CE2' HD21 ' A' ' 98' ' ' LEU . 16.3 m-85 -55.19 -17.82 4.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.493 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 75.5 mt-30 -72.31 -14.61 61.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.517 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.6 pt20 -118.35 -9.07 10.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -132.73 137.92 47.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.482 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 8.2 t -59.61 142.52 52.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.463 ' CD2' HD11 ' A' ' 86' ' ' ILE . 1.9 mt -70.55 -10.9 60.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.0 pttp -41.28 -33.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -40.9 -40.93 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 9.0 t -103.6 -30.8 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 114' ' ' LEU . 76.8 m-85 -128.98 74.47 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' PHE . 17.7 tptt -36.66 -56.17 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.3 t -49.68 -38.22 31.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 111' ' ' PHE . 16.7 tp -95.53 97.75 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -103.07 71.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.486 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 13.9 t -125.61 176.44 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.482 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 17.7 p -145.06 153.54 41.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.584 HD11 ' CD2' ' A' ' 50' ' ' PHE . 2.6 mm? -63.47 102.44 0.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.436 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 10.6 mt-30 -83.63 -73.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.445 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -142.87 153.85 61.45 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.64 0.733 . . . . 0.0 110.906 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 164.32 34.98 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.59 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 9.2 p90 -77.8 -32.82 52.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.59 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 12.8 mtmt -74.1 -20.75 60.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.6 tt0 -34.26 128.27 0.46 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.651 0.738 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 148.95 66.51 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -65.43 149.62 49.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -100.37 81.65 2.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.8 -60.66 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.8 p -83.5 170.94 13.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.3 tp -126.68 124.75 65.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.4 p -138.86 176.62 8.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.88 143.15 41.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.4 m -67.95 110.11 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -157.93 64.88 0.3 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 122.63 9.29 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.651 2.234 . . . . 0.0 112.381 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 32.1 m -66.68 110.4 3.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 69.3 m -153.25 133.34 13.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.534 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 m -134.02 130.01 36.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 m -50.64 172.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.54 117.57 5.91 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 m -86.06 165.58 16.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -67.68 139.26 56.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.13 -87.17 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.531 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -59.18 133.69 56.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.28 160.92 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -147.29 146.93 29.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -163.26 125.47 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.074 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -145.07 114.45 7.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -81.92 147.25 29.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -123.27 136.36 54.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.55 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 8.0 p-90 -105.88 37.71 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.418 ' O ' ' C ' ' A' ' 17' ' ' GLU . 13.9 t-105 -82.48 150.68 26.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' TRP . 9.4 mm-40 -35.6 -41.12 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.77 173.51 37.88 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 137.51 35.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.659 2.239 . . . . 0.0 112.364 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 119.6 6.52 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.31 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.0 147.97 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -132.44 76.23 1.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.567 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 28.8 mt -98.52 -20.34 17.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 m -57.99 -36.8 73.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.1 m -56.38 -16.64 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 31.9 m-70 -82.49 160.18 22.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.0 mt -87.95 -35.13 17.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.511 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.2 p-90 -82.31 19.51 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 23' ' ' LEU . 18.3 t80 -112.82 96.02 5.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.454 ' CB ' ' HE2' ' A' ' 33' ' ' MET . . . -100.95 35.62 2.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 36.46 -153.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 90.67 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.454 ' HE2' ' CB ' ' A' ' 30' ' ' ALA . 32.0 ttp -119.49 134.22 55.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -66.12 172.84 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.558 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 28.8 ttp180 -64.78 -57.31 9.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.26 -54.4 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -46.63 -59.98 5.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.25 -37.4 72.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.335 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.94 -26.33 65.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 t -93.46 -25.8 17.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.449 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 24.9 mt -73.48 -54.03 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.426 ' HA ' ' CG ' ' A' ' 45' ' ' ARG . 19.5 mt -75.43 -15.63 60.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.53 -48.38 38.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -86.19 -31.88 21.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.426 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 5.1 mmp_? -46.3 173.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.1 m -94.74 132.32 39.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 46' ' ' SER . 50.7 m-20 -34.39 121.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.446 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 117.29 -20.29 11.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.9 m -64.94 110.26 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 111.121 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.603 ' CD2' HD13 ' A' ' 118' ' ' LEU . 29.2 p90 -99.07 151.49 20.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.5 ' HB2' ' CD1' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -149.82 130.11 13.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.448 HG22 ' CE3' ' A' ' 28' ' ' TRP . 21.1 t -94.92 122.41 46.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.2 ptt85 -127.43 151.28 49.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.497 ' OE1' ' CZ ' ' A' ' 62' ' ' PHE . 3.7 tt0 -92.07 176.56 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 56' ' ' VAL . 7.5 tpt180 -98.29 64.52 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 55' ' ' ARG . 6.5 t 34.69 54.63 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -169.79 155.28 5.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -63.6 129.82 41.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 39.41 44.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.062 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.98 -175.87 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -66.39 87.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.828 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.497 ' CZ ' ' OE1' ' A' ' 54' ' ' GLN . 72.3 m-85 -45.05 169.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.825 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.481 ' N ' HD12 ' A' ' 77' ' ' ILE . . . -157.95 130.45 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.466 ' HB ' ' HB ' ' A' ' 75' ' ' ILE . 8.7 mt -97.54 105.6 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.3 t -110.25 130.21 55.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.484 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -134.78 168.61 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.159 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -91.38 113.49 25.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.567 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 17.4 t80 -143.77 145.84 32.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.51 ' O ' HG23 ' A' ' 70' ' ' VAL . 4.6 t-20 51.3 32.75 8.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.571 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 64.44 25.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -143.42 138.6 29.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.3 t -79.84 97.32 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -82.84 150.14 26.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.558 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 34.4 m-70 -115.08 143.7 44.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.582 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.493 ' CG2' HG22 ' A' ' 86' ' ' ILE . 28.9 mm -122.68 95.56 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.426 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 1.2 pttm -55.92 138.26 48.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.481 HD12 ' N ' ' A' ' 63' ' ' ALA . 80.0 mt -116.63 137.83 49.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.467 ' N ' HG21 ' A' ' 77' ' ' ILE . 28.4 mtm -114.68 139.96 49.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.408 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.1 p -112.07 135.07 53.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -155.15 128.49 8.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 65.2 25.06 12.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.57 14.94 77.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mt -109.84 167.94 9.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.408 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 77.7 m-85 -127.93 120.03 26.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.473 ' NE ' ' HB2' ' A' ' 91' ' ' ALA . 15.5 ptt180 -162.0 138.02 7.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.493 HG22 ' CG2' ' A' ' 75' ' ' ILE . 7.1 pt -77.1 -21.45 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.409 ' HG1' ' N ' ' A' ' 88' ' ' GLU . 5.1 t -133.03 148.09 52.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.409 ' N ' ' HG1' ' A' ' 87' ' ' THR . 0.4 OUTLIER -79.89 43.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -108.73 -40.25 5.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.588 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 2.4 tmtm? -155.78 113.22 3.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.473 ' HB2' ' NE ' ' A' ' 85' ' ' ARG . . . -95.07 154.99 16.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.103 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.588 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 4.6 m-85 -129.75 145.95 51.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -41.62 -45.36 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.99 177.2 30.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.6 mm? -50.72 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.0 m -32.62 -40.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.439 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 31.1 mm-40 -76.87 -58.94 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.587 HD22 ' CE2' ' A' ' 102' ' ' TYR . 1.9 tm? -47.23 -35.68 7.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.424 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 58.7 t -76.26 -38.57 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -53.26 -37.73 62.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.549 ' CD2' ' OD1' ' A' ' 105' ' ' ASN . 31.0 t80 -67.46 -58.88 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.587 ' CE2' HD22 ' A' ' 98' ' ' LEU . 19.2 m-85 -55.63 -19.81 11.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.492 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 55.8 mt-30 -70.32 -15.37 62.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.514 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 0.8 OUTLIER -116.7 -11.76 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.549 ' OD1' ' CD2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -133.14 138.2 46.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.474 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 34.9 m -64.99 138.4 58.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.02 -5.1 5.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 32.7 pttt -41.26 -45.74 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 24.6 m-20 -42.13 -47.9 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.9 m -83.31 -34.03 25.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.489 ' CE2' HD13 ' A' ' 75' ' ' ILE . 72.2 m-85 -134.95 82.59 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -43.02 -34.37 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.5 t -69.32 -36.31 76.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 111' ' ' PHE . 28.5 tp -101.72 96.46 7.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -102.27 74.5 1.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.567 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 12.7 t -133.12 -179.78 5.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.474 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 16.7 p -143.83 161.12 39.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.603 HD13 ' CD2' ' A' ' 50' ' ' PHE . 1.9 mm? -70.6 92.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.446 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.9 mt-30 -71.05 -74.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -142.15 153.58 63.53 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.629 0.728 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 160.96 47.76 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.264 . . . . 0.0 112.339 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.576 ' CE1' ' HG3' ' A' ' 123' ' ' LYS . 8.4 p90 -74.28 -35.66 63.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.576 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 23.6 mttm -69.5 -24.99 63.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.6 tm-20 -32.72 132.63 0.31 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.613 0.72 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 126' ' ' GLU . 54.1 Cg_endo -69.74 151.99 69.29 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.659 2.239 . . . . 0.0 112.369 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 125' ' ' PRO . 12.6 tt0 -33.56 137.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.1 pttm -98.61 24.91 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -87.51 100.51 12.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 78.3 p -59.97 133.38 56.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 9.4 tt -166.01 147.08 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.4 t -54.91 103.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -115.51 167.94 10.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.0 t -80.04 116.95 20.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 116.91 145.86 8.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.03 64.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.742 2.295 . . . . 0.0 112.343 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.2 t -95.27 170.01 9.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 88.0 p -89.23 136.28 33.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.5 p -107.01 144.61 33.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 m -135.06 147.08 49.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.67 -51.46 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.447 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -66.82 87.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.838 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -148.1 127.79 13.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.87 140.68 14.95 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.05 140.69 26.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.766 0.317 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.42 175.92 9.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -105.37 83.24 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -173.86 130.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -109.01 93.14 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -139.22 166.77 23.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -130.24 114.99 16.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 35.2 p90 -101.08 41.39 1.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 22.8 t-105 -94.24 139.88 30.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -71.97 -43.51 65.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.15 145.71 49.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 131.63 21.66 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 179.32 3.74 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.534 ' NE2' ' H ' ' A' ' 21' ' ' GLN . 1.7 mp0 -40.4 153.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -131.61 90.96 2.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.543 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 70.3 mt -98.65 -19.87 17.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.3 t -61.43 -36.06 79.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.0 m -54.01 -24.59 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.543 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 34.5 m-70 -72.58 163.67 27.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.4 mt -90.86 -31.79 16.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.525 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.5 p-90 -85.15 18.16 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 23' ' ' LEU . 9.8 t80 -110.74 96.46 6.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 122' ' ' PHE . . . -103.21 27.29 7.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 42.47 -149.95 0.4 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 98.46 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.737 2.291 . . . . 0.0 112.32 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.471 ' HE2' ' CD1' ' A' ' 41' ' ' ILE . 11.3 ttm -124.82 135.67 53.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -71.74 155.01 40.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.557 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 53.4 ttt180 -48.47 -44.28 35.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.25 -63.75 1.02 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.39 -55.78 2.48 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.7 -42.51 75.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.42 ' HA ' ' CG2' ' A' ' 72' ' ' VAL . 20.0 mt-10 -69.07 -24.71 64.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.2 t -93.91 -21.11 19.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.471 ' CD1' ' HE2' ' A' ' 33' ' ' MET . 65.6 mt -84.31 -58.1 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.442 ' HA ' ' CG ' ' A' ' 45' ' ' ARG . 41.5 mt -73.82 -13.83 61.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.18 -59.9 2.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.072 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -76.62 -34.35 58.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.442 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 16.5 mmt180 -42.6 161.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -82.69 135.23 35.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -38.13 119.15 0.76 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.429 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 120.76 -20.06 8.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.442 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.3 m -65.1 100.16 0.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.801 0.334 . . . . 0.0 111.117 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.524 ' CG ' HD11 ' A' ' 118' ' ' LEU . 24.2 p90 -89.4 152.94 21.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.549 ' CD1' ' C ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -149.53 124.94 10.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.445 ' CG2' HG12 ' A' ' 64' ' ' ILE . 5.4 t -95.23 124.57 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.413 ' NH2' ' HA ' ' A' ' 35' ' ' ARG . 36.4 ptt85 -132.81 169.37 16.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.561 ' OE1' ' CE1' ' A' ' 62' ' ' PHE . 3.8 tt0 -107.31 166.43 10.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.47 ' O ' ' C ' ' A' ' 56' ' ' VAL . 5.0 tpt180 -80.54 61.17 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' ARG . 10.9 t 32.25 53.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -167.65 153.95 7.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 59' ' ' ALA . 7.6 p-10 -55.63 131.67 46.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 33.58 40.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.26 178.67 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -61.9 97.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.561 ' CE1' ' OE1' ' A' ' 54' ' ' GLN . 45.3 m-85 -51.62 164.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.837 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.78 130.47 7.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.445 HG12 ' CG2' ' A' ' 52' ' ' VAL . 46.3 mt -101.99 118.74 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.1 m -120.34 131.51 54.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.476 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -134.39 163.33 37.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.455 ' CE ' ' HA ' ' A' ' 70' ' ' VAL . 24.5 tptt -84.61 115.27 22.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.575 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 14.0 t80 -144.93 139.99 27.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.519 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 17.3 t30 51.63 32.0 8.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.526 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.9 OUTLIER 65.08 25.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -141.55 132.05 25.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.42 ' CG2' ' HA ' ' A' ' 39' ' ' GLU . 58.0 t -76.26 99.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -83.45 156.88 22.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.557 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 42.2 m-70 -121.56 144.42 48.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.568 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.501 ' CG2' HD13 ' A' ' 86' ' ' ILE . 3.6 mm -123.37 100.22 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.1 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -57.75 125.16 21.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.5 mt -104.14 125.0 58.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 13.4 mtm -103.6 140.87 36.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.2 p -117.34 134.23 55.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.25 118.12 9.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 66.26 25.01 10.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.98 -13.43 67.71 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.8 mt -78.8 155.47 29.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.544 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 77.4 m-85 -117.52 122.32 43.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.401 ' NH1' ' HB1' ' A' ' 91' ' ' ALA . 15.2 ptt180 -161.88 131.47 4.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.501 HD13 ' CG2' ' A' ' 75' ' ' ILE . 21.1 pt -70.68 -19.63 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.8 t -140.06 153.41 46.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -79.64 45.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -112.66 -40.09 4.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.478 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 32.0 tptt -149.44 120.6 7.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.401 ' HB1' ' NH1' ' A' ' 85' ' ' ARG . . . -105.05 148.55 26.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.509 ' CD1' HD21 ' A' ' 98' ' ' LEU . 10.2 m-85 -129.78 158.93 38.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -53.7 -44.37 69.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.39 177.96 31.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.544 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 1.8 mm? -53.56 -55.53 24.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.6 m -32.7 -46.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -75.59 -62.0 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.509 HD21 ' CD1' ' A' ' 92' ' ' PHE . 1.8 tm? -39.19 -47.72 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.438 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 61.9 t -68.75 -45.18 81.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -53.1 -42.75 66.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 104' ' ' GLN . 29.6 t80 -64.57 -45.64 86.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.49 ' HB3' ' CD2' ' A' ' 118' ' ' LEU . 9.5 m-85 -66.77 -23.28 66.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.472 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 71.8 mt-30 -65.59 -11.97 48.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.547 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 4.5 pt20 -117.01 -18.3 10.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.547 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 19.5 m-80 -120.21 142.23 49.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.0 t -67.94 136.98 54.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.449 ' N ' HD21 ' A' ' 107' ' ' LEU . 1.2 mm? -68.34 -11.57 59.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 51.9 pttt -43.12 -44.58 5.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.463 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 1.0 OUTLIER -37.45 -48.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.436 ' SG ' ' CD1' ' A' ' 86' ' ' ILE . 3.6 m -84.25 -34.26 23.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -134.94 84.48 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.77 -39.67 5.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.6 m -64.57 -31.62 72.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.8 tp -103.42 96.11 6.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.72 73.7 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.575 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 10.4 t -134.6 170.62 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.8 p -136.41 166.18 24.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.524 HD11 ' CG ' ' A' ' 50' ' ' PHE . 2.7 mm? -75.85 86.45 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.429 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.3 mt-30 -66.89 -73.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.459 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 1.0 OUTLIER -142.94 155.19 62.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.74 . . . . 0.0 110.893 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 168.86 20.42 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.638 2.225 . . . . 0.0 112.349 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.6 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 11.4 p90 -81.09 -35.57 31.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.6 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 15.3 mtmt -71.35 -21.42 62.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.8 tt0 -33.56 128.56 0.41 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 160.08 51.01 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.696 2.264 . . . . 0.0 112.314 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -57.12 -11.84 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -46.6 96.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.5 mmp_? -73.13 104.84 4.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 24.7 p -138.29 126.77 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.515 ' CD1' ' N ' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -47.57 175.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.1 m -39.9 99.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -80.32 97.88 7.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 32.4 t -63.54 112.24 2.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -39.97 111.04 0.19 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 172.84 11.98 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.671 2.247 . . . . 0.0 112.321 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.6 t -121.37 143.51 49.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 57.0 m -134.57 130.87 37.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -108.61 170.9 7.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -54.06 168.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.44 80.46 0.57 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -91.77 86.2 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.888 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 m -39.78 -56.29 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.19 66.94 1.53 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.68 126.73 14.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.62 114.88 5.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -156.94 160.79 39.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.6 156.89 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.069 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -106.46 28.35 7.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -106.04 42.35 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -148.68 -175.06 4.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.56 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 10.2 p-90 -81.49 40.59 0.58 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.448 ' CD1' ' HG2' ' A' ' 17' ' ' GLU . 21.3 t-105 -79.82 148.49 31.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 11.0 pt-20 -35.36 -42.06 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.93 167.88 15.08 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.446 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 166.13 28.67 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.341 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -172.1 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.657 2.238 . . . . 0.0 112.346 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -40.76 159.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -100.99 105.11 16.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.575 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 83.2 mt -98.14 -18.19 18.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 t -62.38 -35.19 78.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -55.4 -22.67 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.61 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 29.4 m-70 -74.69 158.61 33.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.5 mt -87.32 -30.65 20.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.2 p-90 -85.4 18.17 2.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.472 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 14.2 t80 -111.15 94.67 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.465 ' CB ' ' HE2' ' A' ' 33' ' ' MET . . . -101.47 36.68 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 33.79 -151.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.553 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 92.94 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.735 2.29 . . . . 0.0 112.338 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.465 ' HE2' ' CB ' ' A' ' 30' ' ' ALA . 26.4 ttp -118.25 135.57 54.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.9 162.29 26.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.444 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 24.9 ttp180 -58.25 -54.37 47.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.63 -46.15 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.77 -63.97 4.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.542 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.72 -34.1 11.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 111.144 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -77.49 -25.48 50.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.8 t -90.67 -21.37 21.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.823 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.3 mt -84.06 -61.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.459 ' HA ' ' HB2' ' A' ' 45' ' ' ARG . 15.4 mt -76.2 0.96 17.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -36.23 -71.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -116.13 19.92 14.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.459 ' HB2' ' HA ' ' A' ' 42' ' ' LEU . 4.6 mmt180 -54.25 -77.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -177.64 114.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.8 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' SER . 4.8 p-10 -35.05 107.5 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.474 ' CA ' ' HG3' ' A' ' 119' ' ' GLN . . . 120.58 -11.75 10.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.517 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.4 m -64.96 99.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 111.106 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.573 ' CD2' HD11 ' A' ' 118' ' ' LEU . 20.3 p90 -91.49 148.84 22.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.457 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -150.55 131.24 14.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.59 140.23 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 9.1 ptt-85 -144.26 169.38 18.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -111.31 156.98 20.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 56' ' ' VAL . 17.9 mmm180 -73.29 64.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.426 ' CG1' ' O ' ' A' ' 56' ' ' VAL . 61.6 t 37.46 51.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.471 ' CB ' ' HB3' ' A' ' 60' ' ' ALA . 23.6 mttm -162.69 -176.48 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -99.52 103.9 15.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 59.11 37.79 24.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.471 ' HB3' ' CB ' ' A' ' 57' ' ' LYS . . . -76.2 -64.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.063 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -161.85 105.01 1.2 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -64.98 151.56 45.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.459 ' O ' ' NH1' ' A' ' 53' ' ' ARG . . . -149.89 127.92 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.427 ' O ' ' CG1' ' A' ' 75' ' ' ILE . 15.5 mt -99.76 112.43 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 2.4 t -114.17 129.74 56.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.786 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.482 HG23 ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -133.21 160.33 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.14 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.457 ' HE3' ' C ' ' A' ' 70' ' ' VAL . 27.1 tptt -86.93 115.27 24.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.432 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 23.4 t80 -145.1 144.8 31.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.511 ' O ' HG22 ' A' ' 70' ' ' VAL . 5.5 t30 51.61 31.36 7.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.555 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 66.06 25.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 3.8 pt-20 -144.35 130.12 19.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.2 t -74.73 98.66 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -82.84 150.83 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.517 ' ND1' ' NH2' ' A' ' 53' ' ' ARG . 55.4 m-70 -114.79 146.48 40.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.437 HG23 ' CG2' ' A' ' 86' ' ' ILE . 3.2 mm -124.54 112.52 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.141 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -70.99 123.96 23.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.2 mt -99.26 126.04 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.3 mtm -103.69 139.31 39.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.474 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.2 p -114.85 130.64 56.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.122 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -147.64 122.32 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 64.35 25.25 13.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.49 -11.22 70.66 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.429 HD22 ' C ' ' A' ' 92' ' ' PHE . 4.8 mt -87.37 145.87 26.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.792 0.329 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.474 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 34.7 m-85 -110.18 129.92 55.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -162.2 129.89 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.437 ' CG2' HG23 ' A' ' 75' ' ' ILE . 4.7 pt -71.25 -17.59 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.7 t -140.59 152.56 45.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -78.61 45.41 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.84 -43.32 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 25.5 tptt -153.66 127.48 8.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -105.64 154.41 20.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.081 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.541 ' CE1' HD21 ' A' ' 98' ' ' LEU . 7.2 m-85 -134.58 153.39 51.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -47.6 -47.33 28.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.35 -177.93 23.06 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.523 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.3 mm? -57.47 -58.36 8.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.4 m -33.16 -47.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -72.4 -58.1 3.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.648 ' CD2' ' CE2' ' A' ' 102' ' ' TYR . 1.5 tm? -43.63 -54.5 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.1 t -60.0 -45.1 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.61 -42.69 62.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.48 ' O ' ' CG ' ' A' ' 104' ' ' GLN . 38.0 t80 -65.52 -49.34 69.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.648 ' CE2' ' CD2' ' A' ' 98' ' ' LEU . 12.6 m-85 -63.26 -21.06 66.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.478 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 69.9 mt-30 -69.57 -9.21 53.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.489 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 1.5 pt20 -119.04 -16.99 9.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.489 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 9.7 m-80 -123.07 146.0 48.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.479 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 3.4 m -65.91 144.7 56.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.472 ' N ' HD21 ' A' ' 107' ' ' LEU . 0.5 OUTLIER -76.31 -11.98 60.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.927 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -41.73 -35.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -40.03 -42.15 1.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.0 t -94.95 -30.63 14.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' LEU . 93.2 m-85 -134.94 80.94 1.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 113' ' ' SER . 1.2 pmtp? -41.26 -34.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.45 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 41.5 t -68.0 -39.02 83.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 111' ' ' PHE . 26.4 tp -96.36 96.96 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.963 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.85 69.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.432 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 10.2 t -125.58 -174.73 3.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.158 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.479 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 2.8 p -153.05 158.88 42.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.573 HD11 ' CD2' ' A' ' 50' ' ' PHE . 2.3 mm? -66.19 99.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.474 ' HG3' ' CA ' ' A' ' 48' ' ' GLY . 8.8 mt-30 -80.48 -71.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.454 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -141.25 153.88 66.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 110.904 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 177.7 5.34 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.721 2.281 . . . . 0.0 112.367 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.586 ' CE1' ' HG3' ' A' ' 123' ' ' LYS . 5.1 p90 -92.2 -40.03 11.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.586 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 25.8 mttt -65.68 -21.8 66.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.1 tt0 -32.76 128.6 0.36 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 149.99 68.02 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.698 2.266 . . . . 0.0 112.394 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 127' ' ' LYS . 30.9 tt0 -64.12 -6.67 6.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 126' ' ' GLU . 14.4 mttp -34.51 98.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 126' ' ' GLU . 0.5 OUTLIER -36.53 -67.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.861 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 40.4 p -79.26 110.55 14.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -101.46 140.37 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.5 t -173.08 161.41 4.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.7 -41.5 22.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.5 t -149.46 112.92 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 173.19 83.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 154.57 67.34 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 53.5 p -102.96 158.72 16.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 36.5 t -174.99 114.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.458 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.5 t -149.57 154.87 39.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -80.17 175.47 10.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.68 -138.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -161.87 162.13 29.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -97.24 166.6 11.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.73 -173.89 44.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -74.81 142.55 44.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.28 107.57 18.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -95.03 40.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -173.15 137.91 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -101.96 64.25 0.95 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -152.13 178.17 9.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.951 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -115.02 39.89 2.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 8.1 p-90 -92.64 38.19 1.02 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 12.1 t-105 -110.03 150.75 28.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.962 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -94.87 42.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -135.87 146.61 18.6 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.447 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 155.78 64.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -172.4 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.671 2.247 . . . . 0.0 112.37 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -60.9 161.37 8.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -96.73 79.84 3.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.501 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 46.8 mt -98.66 -23.21 15.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.7 p -58.93 -36.03 74.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.413 HG22 ' N ' ' A' ' 26' ' ' HIS . 15.6 m -55.31 -20.3 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.781 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 29.7 m-70 -75.49 159.42 31.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.2 mt -87.45 -32.59 19.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.781 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.0 p-90 -82.06 11.8 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -107.8 94.76 5.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 122' ' ' PHE . . . -94.49 30.52 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.071 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.31 -147.4 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 81.37 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.49 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 24.9 ttp -111.17 136.18 50.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -75.81 141.93 42.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -39.15 -54.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.37 -51.33 6.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.02 -45.91 56.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.486 ' HB2' ' CD2' ' A' ' 51' ' ' LEU . . . -65.49 -36.05 82.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.728 0.299 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -72.89 -23.62 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.4 t -95.7 -24.4 16.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.49 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 23.5 mt -76.33 -55.56 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.458 ' HA ' ' CG ' ' A' ' 45' ' ' ARG . 21.9 mt -70.56 -16.83 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.44 -53.23 11.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 45' ' ' ARG . 57.9 m-80 -81.95 -32.82 30.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.458 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 17.2 mmp_? -46.01 172.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -95.13 135.12 37.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' SER . 66.3 m-20 -35.77 124.48 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.483 ' CA ' ' HG3' ' A' ' 119' ' ' GLN . . . 113.21 -20.34 19.17 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.481 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.6 m -64.94 102.07 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.343 . . . . 0.0 111.133 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.536 ' CG ' HD12 ' A' ' 118' ' ' LEU . 23.0 p90 -90.99 152.97 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.564 ' CD1' ' C ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -150.15 130.2 13.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.4 t -96.16 130.9 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 -132.42 152.12 51.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.467 ' O ' ' C ' ' A' ' 55' ' ' ARG . 26.4 tt0 -127.93 101.73 6.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.538 ' O ' ' N ' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -32.58 117.49 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.452 ' O ' ' HG3' ' A' ' 57' ' ' LYS . 59.2 t -34.03 90.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.538 ' N ' ' O ' ' A' ' 55' ' ' ARG . 16.8 mtpt -166.96 -179.12 4.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -67.04 -67.05 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -121.14 32.13 6.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 61' ' ' GLU . . . -43.8 113.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.071 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 60' ' ' ALA . 9.2 pt-20 -34.79 111.1 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -55.21 163.51 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.18 151.39 29.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.465 ' CD1' HD13 ' A' ' 77' ' ' ILE . 14.1 mt -121.15 106.54 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 46.5 m -104.67 129.82 52.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.483 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -134.04 164.09 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -87.61 114.56 24.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.495 ' CD2' ' OG1' ' A' ' 116' ' ' THR . 15.3 t80 -145.25 143.64 30.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.527 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.1 OUTLIER 51.32 32.65 8.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.529 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.9 OUTLIER 65.25 25.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.8 pt-20 -143.83 143.2 31.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 98.1 t -82.9 97.33 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 65' ' ' SER . 28.4 mmtt -82.9 144.8 29.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -107.11 148.45 28.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.615 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.429 HG22 ' CG2' ' A' ' 86' ' ' ILE . 4.7 mm -126.91 101.95 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.161 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -63.35 122.67 16.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.465 HD13 ' CD1' ' A' ' 64' ' ' ILE . 86.3 mt -99.85 123.5 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.1 mtm -99.85 141.43 32.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 p -118.83 132.34 56.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.108 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.06 122.91 11.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.08 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 64.2 25.08 13.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.54 -10.71 73.74 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.4 mt -82.81 153.26 25.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.592 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 33.1 m-85 -115.51 124.39 50.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.441 ' HD3' ' CB ' ' A' ' 91' ' ' ALA . 30.9 ptt85 -161.87 130.73 4.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.491 HG12 ' CE2' ' A' ' 102' ' ' TYR . 6.0 pt -72.63 -17.53 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.2 t -141.43 154.87 45.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -81.32 49.03 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -112.87 -40.52 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 24.9 tptt -158.01 119.76 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.441 ' CB ' ' HD3' ' A' ' 85' ' ' ARG . . . -100.37 151.69 21.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.526 ' CE1' HD21 ' A' ' 98' ' ' LEU . 3.9 m-85 -130.86 157.78 41.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -46.48 -46.67 19.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.19 -179.54 32.19 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.456 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.592 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.3 mm? -48.14 -60.66 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 95' ' ' LEU . 3.5 m -32.7 -55.49 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.402 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 57.9 mm-40 -64.33 -58.95 5.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.568 ' CD2' ' CE2' ' A' ' 102' ' ' TYR . 2.5 tm? -47.09 -62.91 1.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 69.1 t -49.79 -42.14 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.412 ' HA ' ' NE2' ' A' ' 103' ' ' GLN . 3.3 mt-10 -58.38 -34.38 70.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.55 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 39.0 t80 -71.76 -56.64 5.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.568 ' CE2' ' CD2' ' A' ' 98' ' ' LEU . 18.0 m-85 -55.87 -13.14 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 118' ' ' LEU . 37.0 mt-30 -76.44 -17.5 59.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.585 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 4.5 pt20 -115.24 -9.24 12.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.585 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 0.1 OUTLIER -130.28 140.03 50.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.492 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 16.7 m -56.68 150.98 14.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 107' ' ' LEU . 1.4 mm? -83.42 -15.7 48.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 110' ' ' CYS . 43.2 pttt -41.83 -36.95 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 108' ' ' LYS . 12.7 t0 -35.34 -33.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.466 ' N ' ' O ' ' A' ' 108' ' ' LYS . 12.9 t -108.41 -31.97 7.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 114' ' ' LEU . 92.8 m-85 -129.43 80.24 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 113' ' ' SER . 2.1 pptp? -42.35 -38.57 1.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.465 ' N ' ' HD2' ' A' ' 112' ' ' LYS . 22.5 t -64.71 -36.58 84.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 111' ' ' PHE . 32.8 tp -99.48 96.47 7.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -99.37 67.68 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.495 ' OG1' ' CD2' ' A' ' 68' ' ' TYR . 5.9 t -125.93 -179.77 4.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.492 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 2.8 p -144.34 175.12 10.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.536 HD12 ' CG ' ' A' ' 50' ' ' PHE . 2.9 mm? -83.73 98.2 9.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.483 ' HG3' ' CA ' ' A' ' 48' ' ' GLY . 5.9 mt-30 -77.24 -73.03 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.47 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -143.78 154.96 59.69 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.668 0.747 . . . . 0.0 110.899 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 170.89 15.52 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.377 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.567 ' CE1' ' HG3' ' A' ' 123' ' ' LYS . 7.1 p90 -82.48 -41.76 19.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 17.1 mtmt -63.05 -25.64 68.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.0 tt0 -32.66 128.01 0.36 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 126' ' ' GLU . 53.9 Cg_endo -69.72 147.65 63.56 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.335 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 125' ' ' PRO . 9.3 tp10 -37.31 147.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -43.96 -48.85 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.405 ' CG ' ' H ' ' A' ' 129' ' ' THR . 0.0 OUTLIER -58.77 -60.26 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.405 ' H ' ' CG ' ' A' ' 128' ' ' ARG . 19.5 p -73.13 124.4 25.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.5 tt -140.79 131.47 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 84.9 p -88.04 79.08 8.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -40.9 98.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.4 m -155.47 122.7 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.811 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -97.26 -98.49 1.96 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 139.74 40.95 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.33 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 94.4 p -97.1 170.0 9.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 89.0 p -130.85 121.91 26.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.541 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -140.61 158.5 43.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.0 p -107.27 170.15 8.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.17 -156.0 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.523 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -126.46 104.95 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -137.78 111.94 8.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.33 141.99 3.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 29.7 pttt -104.76 -44.17 4.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.458 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -49.21 163.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -79.78 45.27 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.36 170.42 14.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 13' ' ' GLN . 33.2 mt-10 -99.22 79.35 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 12' ' ' GLU . 6.6 tt0 34.42 41.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -146.93 129.33 15.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.549 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 8.3 p-90 -128.13 37.38 4.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 19.5 t-105 -115.41 157.31 24.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -86.18 42.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.53 -179.08 0.14 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 150.94 68.99 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.308 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 120.92 7.62 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.719 2.28 . . . . 0.0 112.276 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -150.25 117.32 5.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.93 80.0 6.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.511 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 45.8 mt -98.54 -24.11 15.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.0 t -56.34 -37.2 69.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.4 m -53.82 -28.38 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.792 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 30.4 m-70 -68.31 161.59 27.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.5 mt -89.28 -33.38 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.792 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 4.9 p-90 -81.82 19.07 1.14 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.469 ' CE1' HD11 ' A' ' 23' ' ' LEU . 7.8 t80 -114.92 95.59 5.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.462 ' CB ' ' HE3' ' A' ' 33' ' ' MET . . . -94.73 39.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.111 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.08 -150.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 94.73 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.358 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.503 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 33.8 ttp -127.22 144.16 51.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -81.64 172.37 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.563 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 44.5 ttp180 -62.32 -57.95 9.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.75 -50.05 4.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -50.7 -56.94 11.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.48 -40.13 77.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.73 0.3 . . . . 0.0 111.071 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.406 ' HA ' ' CG2' ' A' ' 72' ' ' VAL . 21.0 mt-10 -66.78 -24.21 66.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.7 t -94.33 -24.18 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.503 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 40.5 mt -76.3 -52.37 17.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.442 ' HA ' ' CG ' ' A' ' 45' ' ' ARG . 20.2 mt -75.77 -11.02 59.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.6 -50.06 44.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -85.16 -31.27 23.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.442 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 85.9 mmt-85 -46.81 172.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.1 m -96.21 137.07 35.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -37.9 123.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.454 ' CA ' ' HG3' ' A' ' 119' ' ' GLN . . . 113.87 -20.26 17.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.523 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.4 m -65.26 99.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.848 0.356 . . . . 0.0 111.134 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.513 ' CG ' HD13 ' A' ' 118' ' ' LEU . 26.1 p90 -88.32 153.51 21.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.552 ' CD1' ' C ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -153.38 128.6 9.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.453 ' CG2' HG12 ' A' ' 64' ' ' ILE . 12.0 t -94.41 130.74 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.5 ptt85 -127.91 112.17 14.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.593 ' HG3' ' CE2' ' A' ' 62' ' ' PHE . 8.5 tt0 -76.43 120.34 21.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 54' ' ' GLN . 0.9 OUTLIER -46.46 176.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.441 ' C ' ' HD2' ' A' ' 57' ' ' LYS . 33.7 m -111.12 60.36 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -149.17 169.96 19.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -33.91 -76.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.845 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.17 -19.08 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.068 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.509 ' O ' ' C ' ' A' ' 61' ' ' GLU . . . 48.05 54.76 9.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.509 ' C ' ' O ' ' A' ' 60' ' ' ALA . 5.8 pt-20 -28.92 108.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.593 ' CE2' ' HG3' ' A' ' 54' ' ' GLN . 53.4 m-85 -67.0 154.37 41.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.448 ' N ' HD11 ' A' ' 77' ' ' ILE . . . -156.73 134.93 11.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.055 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.453 HG12 ' CG2' ' A' ' 52' ' ' VAL . 20.1 mt -105.5 111.74 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.9 m -108.83 131.91 54.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.501 ' CG2' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -134.73 169.1 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -92.28 115.76 28.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.584 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 10.5 t80 -144.65 142.3 30.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.519 ' O ' HG22 ' A' ' 70' ' ' VAL . 8.2 t-20 50.83 34.06 9.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.531 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.9 OUTLIER 64.87 24.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -142.23 140.89 32.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 39' ' ' GLU . 96.5 t -82.68 97.63 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -83.16 152.41 25.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.563 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 50.6 m-70 -113.97 148.19 37.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.598 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.486 ' CG2' HD12 ' A' ' 86' ' ' ILE . 4.5 mm -122.5 101.84 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.113 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -62.9 123.32 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.448 HD11 ' N ' ' A' ' 63' ' ' ALA . 81.5 mt -100.4 131.8 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.7 mtm -111.73 139.13 47.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.465 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.2 p -109.29 129.34 55.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.74 129.77 18.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 62.96 25.33 15.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.01 1.27 89.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.495 ' CD1' ' HB1' ' A' ' 91' ' ' ALA . 7.8 mt -100.85 163.8 12.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.465 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 97.2 m-85 -115.41 127.02 55.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.469 ' HD3' ' CB ' ' A' ' 91' ' ' ALA . 8.6 ptt180 -163.48 125.64 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.488 HD11 ' CB ' ' A' ' 110' ' ' CYS . 11.7 pt -67.78 -21.03 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.456 ' CG2' ' SG ' ' A' ' 110' ' ' CYS . 6.4 t -132.19 147.37 52.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -77.91 44.84 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.85 -36.2 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.614 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -155.72 130.37 9.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.495 ' HB1' ' CD1' ' A' ' 83' ' ' LEU . . . -115.31 142.88 46.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.614 ' CZ ' ' HG2' ' A' ' 90' ' ' LYS . 1.2 m-85 -122.05 169.54 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -59.19 -55.81 30.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.23 174.45 23.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.1 mm? -46.21 -55.58 6.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 95' ' ' LEU . 3.3 m -32.94 -47.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -75.95 -61.08 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.569 HD23 ' CE1' ' A' ' 92' ' ' PHE . 1.7 tm? -38.5 -46.71 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.41 ' CG1' ' HG ' ' A' ' 118' ' ' LEU . 31.3 t -70.09 -44.14 78.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -52.13 -36.78 52.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.547 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 35.3 t80 -71.32 -57.6 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.551 ' CE2' ' CD2' ' A' ' 98' ' ' LEU . 19.8 m-85 -56.22 -12.89 1.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.486 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 61.5 mt-30 -76.39 -19.82 57.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.53 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 1.4 pt20 -110.55 -15.98 13.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -123.63 129.4 51.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.485 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 48.2 t -51.9 141.05 18.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 102' ' ' TYR . 1.3 mm? -74.01 -14.74 61.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 18.5 pttp -42.29 -49.04 5.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.466 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 32.9 t0 -34.34 -42.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.488 ' CB ' HD11 ' A' ' 86' ' ' ILE . 3.8 m -90.05 -33.28 16.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 108' ' ' LYS . 83.0 m-85 -135.0 81.74 1.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -42.86 -37.13 1.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 81.1 p -67.2 -35.42 79.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.455 ' CD2' HD12 ' A' ' 75' ' ' ILE . 15.3 tp -101.42 96.4 7.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.22 74.41 1.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.584 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 7.9 t -136.42 167.37 21.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.485 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 0.8 OUTLIER -134.62 151.96 51.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.513 HD13 ' CG ' ' A' ' 50' ' ' PHE . 2.7 mm? -60.62 87.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.454 ' HG3' ' CA ' ' A' ' 48' ' ' GLY . 7.4 mt-30 -68.13 -73.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.441 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -143.7 155.18 59.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.657 0.741 . . . . 0.0 110.853 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 174.6 9.26 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.313 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.546 ' CE1' ' HG3' ' A' ' 123' ' ' LYS . 9.3 p90 -90.86 -41.47 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.831 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.546 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 23.9 mttt -61.32 -24.88 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.4 tt0 -31.81 127.16 0.33 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 126' ' ' GLU . 54.0 Cg_endo -69.72 168.19 22.2 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.738 2.292 . . . . 0.0 112.348 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 125' ' ' PRO . 5.8 tp10 -34.29 141.66 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -72.59 94.89 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -123.44 -60.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.2 t -129.47 127.44 40.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 6.6 tt -90.27 147.26 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.4 t -168.29 130.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 35.5 mtp180 -67.22 134.48 51.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 56.5 m -109.5 163.23 13.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 159.9 -154.21 25.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 94.16 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.72 2.28 . . . . 0.0 112.366 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.9 t -69.19 -59.06 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.4 t 44.03 42.0 4.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.859 0.361 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.9 p -59.65 -32.58 70.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.5 m -54.38 -21.94 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.611 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 24.7 m-70 -75.23 159.5 31.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 124' ' ' GLU . 72.5 mt -86.26 -32.01 21.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.611 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.1 p-90 -84.86 18.58 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -111.97 95.45 5.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.78 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -101.69 35.85 2.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 34.25 -151.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 88.55 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.362 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.509 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 29.2 ttp -112.54 140.04 47.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -78.18 149.1 33.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 36' ' ' ALA . 32.7 ttp180 -41.49 -61.37 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . -35.03 -58.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.67 -62.45 3.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.562 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -52.76 -33.91 50.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.708 0.289 . . . . 0.0 111.05 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.782 ' HA ' HG21 ' A' ' 72' ' ' VAL . 59.3 mt-10 -75.22 -27.09 59.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.7 t -94.37 -17.94 22.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.509 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 16.8 mt -81.36 -54.49 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.664 HD11 HD23 ' A' ' 51' ' ' LEU . 18.2 mt -78.14 -13.05 60.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -50.56 -47.7 57.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -87.15 -31.52 20.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.423 ' HD2' HG21 ' A' ' 49' ' ' THR . 17.9 mmt180 -48.22 177.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -98.07 137.1 37.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.793 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -37.44 127.82 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.447 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 111.75 -20.3 22.54 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.423 HG21 ' HD2' ' A' ' 45' ' ' ARG . 14.4 m -65.23 104.52 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 111.128 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.644 ' HB2' HG22 ' A' ' 66' ' ' ILE . 22.6 p90 -94.96 154.96 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.664 HD23 HD11 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -153.21 129.68 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.549 HG22 HG12 ' A' ' 64' ' ' ILE . 21.0 t -99.93 128.68 51.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.0 ptt85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.551 ' HB3' HD12 ' A' ' 77' ' ' ILE . 60.3 m-85 . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.37 136.44 21.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.059 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.919 HG13 HD11 ' A' ' 77' ' ' ILE . 59.3 mt -103.99 124.06 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 9.3 t -127.81 131.67 49.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.663 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -137.47 168.87 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -88.47 112.71 23.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.593 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 20.0 t80 -144.23 144.17 31.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.823 ' O ' HG22 ' A' ' 70' ' ' VAL . 7.3 t-20 51.32 32.68 8.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 63.97 24.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 5.0 pt-20 -143.41 137.58 28.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.782 HG21 ' HA ' ' A' ' 39' ' ' GLU . 58.0 t -78.03 96.62 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 65' ' ' SER . 26.2 mmtt -82.84 157.66 23.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -133.28 148.02 51.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 109.565 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.579 HG23 ' CE2' ' A' ' 111' ' ' PHE . 15.9 mt -131.24 134.12 61.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.116 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -77.09 141.31 40.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.919 HD11 HG13 ' A' ' 64' ' ' ILE . 96.7 mt -112.87 115.59 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.4 mtm -93.91 139.52 30.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 p -116.96 132.25 56.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.85 123.43 12.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 64.31 25.01 13.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.01 -12.53 68.81 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.625 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 4.2 mt -83.3 154.45 24.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.807 0.337 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -116.02 127.97 55.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.76 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 3.3 ptt180 -162.1 132.03 4.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.47 HD13 HG21 ' A' ' 75' ' ' ILE . 6.1 pt -72.71 -22.35 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.407 HG23 ' HB2' ' A' ' 89' ' ' LYS . 7.9 t -134.4 151.35 51.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -77.78 46.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' HB2' HG23 ' A' ' 87' ' ' THR . 24.6 mmtt -108.51 -44.66 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.578 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.8 tmtt? -156.65 128.11 7.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.76 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -104.9 156.76 17.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.611 ' CE1' HD23 ' A' ' 98' ' ' LEU . 3.1 m-85 -133.46 163.58 29.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 37.5 mmt-85 -49.96 -49.22 51.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.475 ' N ' ' OE1' ' A' ' 97' ' ' GLU . . . -157.47 179.95 32.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.5 mm? -45.22 -62.56 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.1 m -34.84 -46.28 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 94' ' ' GLY . 25.4 mp0 -72.01 -57.15 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.611 HD23 ' CE1' ' A' ' 92' ' ' PHE . 1.7 tm? -47.97 -57.51 5.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.926 HG13 ' HG ' ' A' ' 118' ' ' LEU . 95.5 t -56.92 -49.53 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.423 ' HA ' ' CD ' ' A' ' 103' ' ' GLN . 4.4 mt-10 -51.24 -33.74 29.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.528 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 79.6 t80 -70.34 -51.79 27.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.552 ' CB ' HD23 ' A' ' 118' ' ' LEU . 10.2 m-85 -61.11 -25.29 66.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.423 ' CD ' ' HA ' ' A' ' 100' ' ' GLU . 74.9 mt-30 -56.02 -13.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -117.41 -22.82 8.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -119.25 131.62 55.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.477 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 4.6 t -59.17 154.84 15.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.451 HD12 HD13 ' A' ' 86' ' ' ILE . 1.7 mm? -79.3 -11.0 59.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -43.32 -33.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -45.05 -40.51 6.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.4 t -96.39 -33.64 11.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.579 ' CE2' HG23 ' A' ' 75' ' ' ILE . 99.1 m-85 -133.67 82.2 1.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -39.88 -32.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.444 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 14.4 t -69.07 -41.01 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 111' ' ' PHE . 10.9 tp -92.32 91.0 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.97 73.92 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.593 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 11.8 t -129.99 -178.84 4.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.477 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 6.8 p -149.01 145.75 27.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.926 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.6 mm? -59.37 100.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.447 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 12.8 mt-30 -85.45 -72.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -141.54 151.86 61.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.678 0.751 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.0 Cg_endo -69.81 162.97 40.04 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.65 2.233 . . . . 0.0 112.319 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.78 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 16.1 p90 -74.97 -37.74 61.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.598 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 13.8 mtmt -67.87 -23.97 65.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.463 ' HA ' HD13 ' A' ' 27' ' ' LEU . 1.8 tt0 -33.68 126.77 0.44 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.138 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.546 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 73.3 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.823 0.344 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.3 t -62.28 -36.89 83.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.7 m -53.11 -22.9 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.142 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.546 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 39.3 m-70 -75.81 158.9 31.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.571 HD13 ' HA ' ' A' ' 124' ' ' GLU . 76.6 mt -86.77 -32.17 20.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 8.1 p-90 -84.99 20.09 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 23' ' ' LEU . 13.4 t80 -112.62 97.76 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.744 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -104.69 33.24 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.91 -152.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 87.68 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.649 2.232 . . . . 0.0 112.358 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.419 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 31.6 ttp -111.83 145.63 39.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -74.09 168.53 19.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -63.76 -52.42 60.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.57 -46.07 38.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.61 -56.45 15.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.457 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.636 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -61.25 -38.22 85.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.72 0.295 . . . . 0.0 111.08 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.814 ' HA ' HG21 ' A' ' 72' ' ' VAL . 17.9 mt-10 -69.97 -24.32 63.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.7 m -95.48 -26.19 15.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.419 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 48.7 mt -73.87 -54.84 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.54 HD12 HG13 ' A' ' 72' ' ' VAL . 23.2 mt -74.07 -12.28 60.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -48.63 -52.87 20.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -82.77 -31.41 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.481 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 11.5 mmt-85 -46.61 170.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.3 m -94.62 136.12 35.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 46' ' ' SER . 38.6 t70 -35.67 126.85 0.66 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.457 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 110.57 -19.09 26.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.455 ' O ' HD22 ' A' ' 42' ' ' LEU . 12.3 m -65.26 102.0 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 111.168 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.821 ' CD2' HD12 ' A' ' 118' ' ' LEU . 23.5 p90 -91.22 153.99 19.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.822 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -151.49 127.22 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.939 HG22 HG12 ' A' ' 64' ' ' ILE . 18.9 t -98.35 133.37 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.433 ' HD3' HD11 ' A' ' 51' ' ' LEU . 39.4 ptt85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.664 ' HB3' HD12 ' A' ' 77' ' ' ILE . 73.6 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.882 0.373 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.2 129.63 12.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.939 HG12 HG22 ' A' ' 52' ' ' VAL . 17.6 mt -99.78 133.06 44.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.1 m -137.0 125.86 24.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.689 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -128.68 164.8 29.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.447 ' HE3' ' C ' ' A' ' 70' ' ' VAL . 21.6 tptt -84.18 115.23 22.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.573 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 22.8 t80 -145.38 140.77 27.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.871 ' O ' HG22 ' A' ' 70' ' ' VAL . 15.5 t30 52.13 30.51 7.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.871 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 65.42 24.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -141.42 129.19 21.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.814 HG21 ' HA ' ' A' ' 39' ' ' GLU . 95.2 t -74.76 99.27 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.62 ' NZ ' HD13 ' A' ' 114' ' ' LEU . 6.8 mmtp -83.39 157.28 22.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -129.31 143.5 50.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.594 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.492 HG21 HD13 ' A' ' 86' ' ' ILE . 17.8 mt -129.2 128.96 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.11 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.437 ' O ' HG22 ' A' ' 86' ' ' ILE . 13.8 ttmm -75.28 138.02 41.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.691 HD11 HG13 ' A' ' 64' ' ' ILE . 91.3 mt -109.03 104.08 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 mtm -78.62 157.17 28.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 83' ' ' LEU . 2.2 p -132.22 143.4 49.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -158.72 126.03 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 63.86 24.96 13.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.51 18.98 62.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.537 ' O ' HG22 ' A' ' 79' ' ' THR . 6.3 mt -109.59 166.25 11.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -126.8 123.23 36.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.538 ' NE ' ' HB2' ' A' ' 91' ' ' ALA . 20.4 ptt180 -161.67 126.33 3.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.531 HG12 ' CE2' ' A' ' 102' ' ' TYR . 4.7 pt -63.98 -24.57 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.0 t -135.83 153.75 51.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.441 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 2.7 pm0 -79.22 43.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.404 ' HA ' ' CE ' ' A' ' 89' ' ' LYS . 2.4 mmpt? -104.18 -37.3 7.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.435 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 20.7 tptt -163.01 119.94 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.538 ' HB2' ' NE ' ' A' ' 85' ' ' ARG . . . -98.0 153.39 18.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' A' ' 101' ' ' PHE . 3.6 m-85 -131.84 160.41 35.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -53.91 -43.06 69.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.34 -178.44 27.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.502 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.481 HD11 HD13 ' A' ' 77' ' ' ILE . 1.5 mm? -56.85 -61.33 2.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.372 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.458 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.9 m -32.82 -42.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -77.9 -57.76 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.559 HD11 ' HE2' ' A' ' 102' ' ' TYR . 2.5 tm? -45.69 -50.56 13.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.831 HG13 ' HG ' ' A' ' 118' ' ' LEU . 45.4 t -61.46 -44.16 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -50.94 -44.72 60.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.509 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 33.8 t80 -62.31 -42.63 99.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.559 ' HE2' HD11 ' A' ' 98' ' ' LEU . 11.4 m-85 -69.92 -23.03 63.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.488 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 21.7 mt-30 -67.2 -9.52 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.504 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.6 pt20 -118.23 -18.79 9.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.504 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 15.6 m-80 -121.72 144.49 48.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.8 m -70.7 139.78 51.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.409 HD12 HD13 ' A' ' 75' ' ' ILE . 2.2 mm? -63.58 -11.16 22.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.936 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -42.26 -33.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -44.81 -41.03 6.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.9 t -95.57 -35.33 11.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 114' ' ' LEU . 86.1 m-85 -134.35 86.3 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.815 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -43.09 -44.45 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.3 p -57.98 -34.42 69.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.62 HD13 ' NZ ' ' A' ' 73' ' ' LYS . 16.1 tp -100.95 95.3 6.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.98 80.27 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.573 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 9.9 t -131.73 -179.39 5.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 27.2 p -147.87 153.32 38.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.831 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.2 mm? -66.81 89.57 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.457 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.5 mt-30 -70.88 -72.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.434 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 1.0 OUTLIER -142.79 154.38 62.41 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.638 0.732 . . . . 0.0 110.896 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 54.2 Cg_endo -69.76 167.03 25.6 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.385 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.744 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 15.1 p90 -80.75 -38.87 27.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.604 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 18.2 mttm -65.2 -26.12 68.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.571 ' HA ' HD13 ' A' ' 27' ' ' LEU . 2.5 tt0 -31.65 128.03 0.31 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.731 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.339 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.575 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 97.5 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.817 0.342 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.538 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 11.2 t -58.59 -33.8 70.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.1 m -57.24 -19.16 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.635 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 27.8 m-70 -76.35 159.44 30.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.56 HD13 ' HA ' ' A' ' 124' ' ' GLU . 84.5 mt -84.47 -35.0 23.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.635 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 7.6 p-90 -81.92 19.19 1.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 24' ' ' SER . 22.2 t80 -114.23 94.81 4.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.933 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.796 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -98.27 36.16 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.136 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.32 -151.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.51 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 109.71 2.38 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.45 ' CE ' ' CD1' ' A' ' 41' ' ' ILE . 21.7 ttp -136.82 147.47 46.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -79.06 170.14 17.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ALA . 25.4 ttm180 -59.51 -62.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . -36.98 -58.06 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -42.48 -61.88 2.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.52 -45.92 56.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.738 0.304 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.575 ' HA ' HG11 ' A' ' 72' ' ' VAL . 21.8 mt-10 -66.35 -22.5 66.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.9 t -93.71 -19.6 20.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.948 HG22 HD13 ' A' ' 42' ' ' LEU . 45.9 mt -73.39 -59.27 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.981 HD21 HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -77.37 -2.48 35.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.85 -40.4 63.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -99.83 -26.51 14.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.472 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 27.0 mmm180 -52.95 171.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.77 141.41 28.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -40.44 122.05 1.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.429 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 117.95 -19.27 11.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 m -65.13 114.02 4.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 111.159 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.877 ' CD2' HD12 ' A' ' 118' ' ' LEU . 15.8 p90 -107.51 152.26 24.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.981 HD23 HD21 ' A' ' 42' ' ' LEU . 1.1 pp -152.92 130.76 11.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.822 HG22 HG12 ' A' ' 64' ' ' ILE . 21.9 t -97.61 145.32 9.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.1 ptt85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.874 0.369 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.95 136.3 12.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.822 HG12 HG22 ' A' ' 52' ' ' VAL . 21.1 mt -105.27 132.98 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.6 m -135.02 131.75 37.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.756 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -135.77 168.82 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 13.9 tptm -85.29 116.57 23.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.574 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 13.1 t80 -145.18 138.05 26.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.888 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER 51.5 31.71 7.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.888 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 65.94 25.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 68' ' ' TYR . 3.2 pt-20 -141.46 130.7 23.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.575 HG11 ' HA ' ' A' ' 39' ' ' GLU . 69.9 t -74.71 100.02 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -83.37 157.59 22.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.449 ' CE1' ' HG2' ' A' ' 39' ' ' GLU . 7.7 m-70 -131.15 143.56 50.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.575 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.508 HG21 HD12 ' A' ' 86' ' ' ILE . 35.4 mt -127.22 130.29 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.111 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.429 ' O ' HG22 ' A' ' 86' ' ' ILE . 24.8 ttpt -76.73 136.5 39.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.767 HD11 HG13 ' A' ' 64' ' ' ILE . 96.5 mt -112.49 122.48 66.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 mtm -98.32 156.88 16.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.6 p -130.07 141.43 50.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.172 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.44 ' O ' HD12 ' A' ' 83' ' ' LEU . . . -159.49 126.65 4.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 64.21 25.02 13.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.8 21.53 59.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.591 ' O ' HG22 ' A' ' 79' ' ' THR . 4.3 mt -112.56 169.35 8.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.49 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 46.3 m-85 -132.51 122.79 25.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.719 ' NE ' ' HB2' ' A' ' 91' ' ' ALA . 21.5 ptt180 -161.32 132.59 5.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.508 HD12 HG21 ' A' ' 75' ' ' ILE . 19.2 pt -71.68 -20.14 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.2 t -135.88 148.56 48.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.42 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 1.4 pm0 -78.01 46.46 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -112.49 -41.17 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -152.09 120.68 6.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.719 ' HB2' ' NE ' ' A' ' 85' ' ' ARG . . . -105.15 150.5 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.623 ' CE1' HD23 ' A' ' 98' ' ' LEU . 4.9 m-85 -127.79 158.08 38.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -49.1 -43.4 41.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.52 176.83 34.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.49 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.1 mm? -49.54 -57.56 6.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.458 ' C ' ' O ' ' A' ' 95' ' ' LEU . 5.5 m -33.17 -44.62 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.412 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 6.1 mm-40 -75.54 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.623 HD23 ' CE1' ' A' ' 92' ' ' PHE . 1.8 tm? -43.86 -50.31 7.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.82 HG13 ' HG ' ' A' ' 118' ' ' LEU . 55.5 t -65.62 -46.85 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -55.66 -34.08 64.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.41 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 53.7 t80 -69.19 -50.05 51.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.509 ' CB ' HD23 ' A' ' 118' ' ' LEU . 9.7 m-85 -62.47 -26.01 68.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.41 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 73.3 mt-30 -56.8 -14.05 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -115.23 -25.34 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.479 ' O ' HG22 ' A' ' 117' ' ' THR . 0.6 OUTLIER -116.8 140.01 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.692 ' HA ' HG23 ' A' ' 117' ' ' THR . 9.1 t -70.78 141.92 51.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.416 ' CD2' ' N ' ' A' ' 107' ' ' LEU . 1.5 mm? -65.49 -7.09 12.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.9 pttt -42.55 -42.39 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -43.59 -48.93 7.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.432 ' SG ' HD11 ' A' ' 86' ' ' ILE . 3.8 m -80.27 -38.38 31.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' A' ' 114' ' ' LEU . 83.3 m-85 -134.35 87.48 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -42.79 -30.77 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.433 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 47.7 t -72.87 -36.84 67.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 111' ' ' PHE . 6.2 tp -95.78 89.53 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -99.19 74.65 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.574 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 6.1 t -133.36 -177.85 4.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.692 HG23 ' HA ' ' A' ' 106' ' ' SER . 1.1 p -149.99 158.49 44.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.877 HD12 ' CD2' ' A' ' 50' ' ' PHE . 2.1 mm? -70.25 93.82 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.429 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.2 mt-30 -75.46 -72.05 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -141.54 149.63 54.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.667 0.746 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.9 Cg_endo -69.74 171.13 15.01 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.697 2.264 . . . . 0.0 112.369 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.796 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 11.7 p90 -87.95 -42.52 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.603 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 15.7 mttm -60.41 -24.86 65.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.56 ' HA ' HD13 ' A' ' 27' ' ' LEU . 3.2 tm-20 -33.0 133.72 0.3 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.627 0.727 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.143 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.562 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 94.9 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.403 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 48.2 t -58.61 -36.06 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.8 m -53.93 -31.97 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.67 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 22.6 m-70 -64.01 164.2 10.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' A' ' 124' ' ' GLU . 83.3 mt -89.72 -33.92 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.67 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.9 p-90 -82.53 19.41 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.55 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 12.2 t80 -115.24 94.48 4.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.716 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -92.17 26.39 2.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.99 -144.98 0.38 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 94.07 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.651 2.234 . . . . 0.0 112.327 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.496 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 33.6 ttp -128.8 140.16 51.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -80.35 167.62 20.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.438 ' HB3' ' NH1' ' A' ' 35' ' ' ARG . 17.3 ttp-105 -54.07 -56.65 16.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 37' ' ' GLY . . . -40.41 -65.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.06 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' ALA . . . -37.16 -51.91 1.64 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.59 99.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.741 0.305 . . . . 0.0 111.094 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.941 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 21.0 mt-10 -69.37 -22.96 63.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.5 t -95.48 -24.42 16.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.496 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 21.3 mt -79.26 -55.82 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.536 HD13 ' HA ' ' A' ' 66' ' ' ILE . 23.6 mt -75.88 -17.0 59.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.941 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -50.8 -47.18 59.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -86.54 -32.51 20.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.469 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 11.6 mmp_? -47.52 175.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.08 136.79 33.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -38.83 127.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.451 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 112.44 -20.99 20.19 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.0 m -65.21 107.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 111.183 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.799 ' CD2' HD12 ' A' ' 118' ' ' LEU . 20.5 p90 -97.25 153.1 18.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.809 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -151.21 128.22 11.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.805 HG22 HG12 ' A' ' 64' ' ' ILE . 24.3 t -94.83 121.68 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.438 HH21 ' CG ' ' A' ' 74' ' ' HIS . 21.6 ptt85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.605 ' HB3' HD12 ' A' ' 77' ' ' ILE . 42.3 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.89 0.376 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.431 ' N ' HD12 ' A' ' 77' ' ' ILE . . . -157.51 136.66 11.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.049 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.805 HG12 HG22 ' A' ' 52' ' ' VAL . 13.1 mt -103.14 106.72 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -107.58 132.15 53.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.69 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -138.1 164.98 26.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.137 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.457 ' NZ ' ' O ' ' A' ' 43' ' ' ALA . 19.3 tptm -86.93 112.88 22.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -143.9 145.5 32.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.918 ' O ' HG22 ' A' ' 70' ' ' VAL . 19.7 t30 51.51 31.85 8.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.918 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.05 25.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.2 pt-20 -144.11 140.35 29.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.69 HG21 ' HA ' ' A' ' 39' ' ' GLU . 62.1 t -79.68 96.85 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -83.27 153.48 24.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.438 ' CG ' HH21 ' A' ' 53' ' ' ARG . 24.8 m-70 -119.03 143.76 46.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.617 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.413 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 3.7 mm -122.77 104.41 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -59.51 136.14 57.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.605 HD12 ' HB3' ' A' ' 62' ' ' PHE . 95.7 mt -112.52 127.04 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.9 mtm -104.73 139.45 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 p -116.98 138.3 51.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.184 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -154.99 129.97 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 62.39 25.05 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.27 9.88 83.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.8 mt -103.89 160.09 15.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.476 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 81.9 m-85 -116.87 126.19 52.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.536 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 38.2 ptt85 -161.73 134.91 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.436 HG22 HG12 ' A' ' 77' ' ' ILE . 5.0 pt -79.21 -15.86 13.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.1 t -143.86 151.52 39.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.52 46.18 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.48 ' CE ' ' HB2' ' A' ' 109' ' ' ASP . 17.6 mtmm -113.06 -35.72 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 25.0 tptt -159.8 128.91 5.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.536 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -110.87 150.58 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 90' ' ' LYS . 5.3 m-85 -129.21 162.94 26.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -55.53 -44.74 76.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.3 177.77 31.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.476 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.3 mm? -51.02 -58.43 6.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.3 m -32.75 -46.55 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -74.84 -61.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.672 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.5 tm? -40.15 -49.12 2.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.959 HG13 ' HG ' ' A' ' 118' ' ' LEU . 58.9 t -65.1 -44.08 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -50.66 -45.9 58.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -62.22 -45.76 91.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.672 ' CE2' HD21 ' A' ' 98' ' ' LEU . 10.9 m-85 -69.04 -21.74 64.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.458 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 75.9 mt-30 -69.41 -11.31 60.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.482 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.7 pt20 -116.77 -19.02 10.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.585 ' O ' HG22 ' A' ' 117' ' ' THR . 13.8 m-80 -122.92 147.3 46.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.65 ' HA ' HG23 ' A' ' 117' ' ' THR . 3.8 m -64.27 147.89 51.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.603 HD21 ' HB3' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -77.88 -12.47 59.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.912 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -41.63 -37.03 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.48 ' HB2' ' CE ' ' A' ' 89' ' ' LYS . 12.0 p-10 -37.74 -40.57 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 5.6 t -95.88 -33.53 12.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 114' ' ' LEU . 92.1 m-85 -131.68 80.72 1.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -41.16 -30.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.451 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 66.7 m -73.44 -38.57 65.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 111' ' ' PHE . 25.3 tp -98.28 96.87 8.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -101.21 75.88 1.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 117' ' ' THR . 14.8 t -123.62 -173.96 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.65 HG23 ' HA ' ' A' ' 106' ' ' SER . 1.8 p -155.8 144.75 20.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.959 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.7 mm? -58.13 96.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.451 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.6 mt-30 -78.08 -74.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.439 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -141.4 152.37 63.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.667 0.746 . . . . 0.0 110.856 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.8 Cg_endo -69.75 161.02 47.55 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.352 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.716 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 11.3 p90 -74.52 -35.43 63.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.611 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 18.2 mttm -70.19 -24.17 63.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.479 ' HA ' HD13 ' A' ' 27' ' ' LEU . 3.3 tm-20 -32.12 134.64 0.26 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.71 0.767 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.729 2.286 . . . . 0.0 112.311 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.567 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 52.1 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.834 0.349 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 t -58.27 -34.23 70.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.0 m -55.62 -27.3 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.15 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.576 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 31.4 m-70 -68.0 177.07 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 124' ' ' GLU . 80.0 mt -99.26 -50.97 3.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.576 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 1.2 p-90 -59.78 -25.63 65.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.473 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 15.7 t80 -67.79 114.05 6.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.725 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -118.42 37.7 3.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 37.47 -153.23 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 90.8 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.452 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 19.8 ttp -116.51 138.88 51.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.98 162.98 28.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.503 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 4.7 tmm_? -58.97 -53.87 53.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.503 ' N ' ' HD2' ' A' ' 35' ' ' ARG . . . -50.81 -48.93 59.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.92 -51.55 10.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.568 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -62.78 -36.78 84.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.312 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.674 ' HA ' HG21 ' A' ' 72' ' ' VAL . 23.2 mt-10 -69.6 -22.42 63.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.9 t -94.65 -28.52 15.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.452 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 35.0 mt -73.95 -53.3 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.539 ' HG ' HD23 ' A' ' 51' ' ' LEU . 31.4 mt -75.61 -11.08 59.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -47.13 -57.66 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -78.62 -33.24 47.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 27.1 mmt180 -43.41 165.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.2 m -90.04 136.81 32.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.1 p-10 -36.9 126.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.828 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.458 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 111.43 -19.69 23.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.511 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.466 ' O ' HD22 ' A' ' 42' ' ' LEU . 20.1 m -65.68 100.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 111.16 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.819 ' CD2' HD12 ' A' ' 118' ' ' LEU . 23.4 p90 -89.59 157.64 17.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.814 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -154.77 133.78 12.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.527 HG22 HG12 ' A' ' 64' ' ' ILE . 22.1 t -105.12 145.38 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.678 HH21 ' HD1' ' A' ' 74' ' ' HIS . 14.0 ptt85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.7 ' HB3' HD12 ' A' ' 77' ' ' ILE . 83.5 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.857 0.36 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.93 130.42 20.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.755 HG13 HD11 ' A' ' 77' ' ' ILE . 33.5 mt -97.78 122.01 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.458 ' O ' HD11 ' A' ' 42' ' ' LEU . 6.1 m -128.65 123.82 34.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.701 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -127.87 168.64 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -87.96 117.59 26.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.553 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 17.4 t80 -145.1 141.35 28.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.908 ' O ' HG22 ' A' ' 70' ' ' VAL . 3.4 t-20 50.87 33.33 8.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.908 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.35 24.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 3.0 pt-20 -141.42 136.44 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.674 HG21 ' HA ' ' A' ' 39' ' ' GLU . 85.2 t -81.03 99.92 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -82.96 157.25 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.678 ' HD1' HH21 ' A' ' 53' ' ' ARG . 64.7 m-70 -128.12 142.94 51.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.586 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.7 mt -132.47 124.79 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.49 ' O ' HG22 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -73.75 148.26 42.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.861 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.755 HD11 HG13 ' A' ' 64' ' ' ILE . 88.2 mt -116.07 109.06 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mtm -80.83 137.94 36.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.534 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.4 p -119.05 137.75 53.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.154 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.01 127.75 6.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 64.79 25.27 12.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.1 6.17 86.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.408 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 6.9 mt -99.31 161.36 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.534 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 76.0 m-85 -125.69 124.87 42.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.676 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 19.9 ptt85 -162.05 123.89 2.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 76' ' ' LYS . 43.0 pt -62.76 -21.0 26.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.0 t -136.79 152.6 50.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -81.54 45.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -112.82 -36.13 5.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.481 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 23.5 tptt -155.24 120.83 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.676 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -103.36 151.71 22.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.481 ' CZ ' ' HG2' ' A' ' 90' ' ' LYS . 11.5 m-85 -130.65 159.81 36.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.923 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -57.02 -41.3 78.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.38 176.02 32.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.444 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.477 HD11 HD13 ' A' ' 77' ' ' ILE . 1.4 mm? -53.91 -59.48 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.9 0.381 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 95' ' ' LEU . 4.8 m -32.63 -44.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -76.79 -59.62 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.861 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.4 tm? -42.02 -48.97 4.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.782 HG13 ' HG ' ' A' ' 118' ' ' LEU . 24.4 t -64.3 -45.24 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -50.11 -45.51 52.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.433 ' O ' ' HG3' ' A' ' 104' ' ' GLN . 32.3 t80 -64.19 -42.66 96.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.861 ' CE2' HD21 ' A' ' 98' ' ' LEU . 8.2 m-85 -70.3 -20.01 63.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.493 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 19.4 mt-30 -69.2 -16.01 63.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.948 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.44 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.4 pt20 -110.46 -23.34 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.44 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 11.1 m-80 -116.7 140.76 49.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.692 ' HA ' HG23 ' A' ' 117' ' ' THR . 2.8 m -68.26 145.43 54.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -68.69 -10.57 57.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.9 pttt -41.81 -36.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -49.02 -47.98 44.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.441 ' SG ' HD11 ' A' ' 86' ' ' ILE . 2.8 m -83.33 -40.74 19.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 114' ' ' LEU . 95.0 m-85 -134.75 85.48 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 113' ' ' SER . 1.9 tmtp? -37.8 -62.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.456 ' N ' ' HD3' ' A' ' 112' ' ' LYS . 4.5 m -42.37 -34.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 111' ' ' PHE . 6.9 tp -99.58 91.24 4.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.956 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.72 77.65 1.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.553 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 13.8 t -130.24 -177.8 4.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.692 HG23 ' HA ' ' A' ' 106' ' ' SER . 1.0 OUTLIER -150.16 152.06 34.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.819 HD12 ' CD2' ' A' ' 50' ' ' PHE . 2.1 mm? -67.74 88.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.458 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.4 mt-30 -71.6 -72.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.457 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -141.72 152.05 61.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.62 0.724 . . . . 0.0 110.864 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.4 Cg_endo -69.71 166.56 27.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.366 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.725 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 14.9 p90 -76.56 -37.71 56.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.614 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 8.6 mtmt -71.55 -18.75 62.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.445 ' HA ' HD13 ' A' ' 27' ' ' LEU . 2.3 tm-20 -34.78 133.78 0.42 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.313 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.541 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 62.9 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.762 0.315 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.0 p -57.18 -33.81 67.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.9 m -58.33 -19.47 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 31.9 m-70 -77.72 163.95 25.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 124' ' ' GLU . 67.5 mt -90.14 -35.74 15.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.505 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.4 p-90 -80.36 15.29 1.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.437 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 18.8 t80 -107.66 94.55 5.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.943 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -97.85 35.13 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.23 -153.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.444 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 85.65 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 27.7 ttp -110.72 146.75 35.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -82.86 146.69 28.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -39.96 -55.98 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.27 -61.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.29 -50.24 6.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.448 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -61.0 -37.25 81.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.584 ' HA ' HG21 ' A' ' 72' ' ' VAL . 21.3 mt-10 -74.45 -23.11 58.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.3 t -91.95 -28.57 17.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.792 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.2 mt -74.62 -57.79 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.84 HD12 HG13 ' A' ' 72' ' ' VAL . 31.6 mt -65.69 -22.42 66.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -45.89 -45.51 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' ARG . 55.0 m-80 -88.21 -31.5 19.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.476 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 17.2 mmp_? -49.28 179.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.75 148.96 23.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 11.2 p-10 -50.14 102.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.471 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 132.79 -19.19 4.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.645 ' O ' HD22 ' A' ' 42' ' ' LEU . 42.0 m -64.38 102.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.334 . . . . 0.0 111.09 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.579 ' HB2' HG22 ' A' ' 66' ' ' ILE . 23.5 p90 -88.66 154.89 19.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.656 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -153.18 129.14 10.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.844 HG22 HG12 ' A' ' 64' ' ' ILE . 23.6 t -99.48 141.84 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.52 ' CB ' HD12 ' A' ' 77' ' ' ILE . 60.6 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.811 0.339 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -136.41 130.17 32.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.844 HG12 HG22 ' A' ' 52' ' ' VAL . 44.5 mt -103.11 127.25 57.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.3 m -130.33 133.43 46.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.84 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -137.67 168.82 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -89.86 115.42 27.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.568 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 11.8 t80 -144.45 142.51 30.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.896 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.2 OUTLIER 50.88 33.2 8.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.896 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.16 24.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 68' ' ' TYR . 3.9 pt-20 -141.54 141.02 33.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.84 HG13 HD12 ' A' ' 42' ' ' LEU . 63.4 t -84.24 98.81 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.424 ' HE3' HD13 ' A' ' 114' ' ' LEU . 20.1 mmtt -83.63 156.82 22.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -129.5 144.92 51.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.653 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.635 HG21 HD13 ' A' ' 86' ' ' ILE . 19.5 mt -130.39 127.66 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.161 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.38 138.36 36.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.693 HD11 HG13 ' A' ' 64' ' ' ILE . 75.1 mt -109.44 103.76 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.8 mtm -74.74 142.57 44.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.556 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.1 p -116.61 136.5 52.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.67 127.87 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 66.16 25.23 10.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.98 18.04 70.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.469 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 79' ' ' THR . 5.1 mt -113.09 170.89 7.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.775 0.321 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.556 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 78.1 m-85 -132.25 124.97 29.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.951 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.638 ' CZ ' ' HB2' ' A' ' 91' ' ' ALA . 11.0 ptt180 -161.63 124.4 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.635 HD13 HG21 ' A' ' 75' ' ' ILE . 5.6 pt -62.92 -21.56 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.414 ' N ' HG13 ' A' ' 86' ' ' ILE . 6.2 t -135.38 149.51 49.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -79.17 44.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -110.01 -34.99 6.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -160.21 121.53 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.638 ' HB2' ' CZ ' ' A' ' 85' ' ' ARG . . . -102.28 153.11 20.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.521 ' CE1' HD23 ' A' ' 98' ' ' LEU . 7.3 m-85 -130.63 161.86 30.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -55.25 -43.99 75.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.48 -177.11 29.33 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 96' ' ' THR . 0.7 OUTLIER -53.91 -59.81 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.355 . . . . 0.0 110.879 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 95' ' ' LEU . 4.3 m -32.55 -44.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -75.3 -59.59 2.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.684 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.5 tm? -44.39 -51.41 8.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.729 HG13 ' HG ' ' A' ' 118' ' ' LEU . 59.0 t -65.04 -48.02 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -55.78 -33.29 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.473 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 65.2 t80 -71.21 -52.23 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.684 ' CE2' HD21 ' A' ' 98' ' ' LEU . 11.2 m-85 -59.6 -25.07 64.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.944 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -55.99 -13.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.96 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -117.21 -21.42 8.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -119.89 125.69 49.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.472 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 8.6 t -57.5 144.85 35.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.462 HD12 HD13 ' A' ' 75' ' ' ILE . 1.1 mm? -67.15 -10.58 51.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -42.48 -35.38 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -41.4 -43.0 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.2 t -94.64 -30.08 14.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 114' ' ' LEU . 99.1 m-85 -134.68 80.38 1.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.49 -26.3 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 91.0 p -73.57 -38.06 65.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.831 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 111' ' ' PHE . 25.6 tp -95.51 97.87 10.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.48 80.09 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.568 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 14.6 t -141.4 156.88 45.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 17.5 p -126.14 150.28 48.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.729 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.8 mm? -57.43 91.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.471 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.6 mt-30 -71.5 -74.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -142.45 154.13 63.2 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.617 0.722 . . . . 0.0 110.88 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.2 Cg_endo -69.81 171.53 14.35 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.336 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.943 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 26.9 p90 -81.39 -39.95 24.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.615 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 8.7 mtmm -67.96 -21.68 65.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 123' ' ' LYS . 1.7 tt0 -32.37 126.38 0.37 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.631 0.729 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.138 0 C-N-CA 122.69 2.26 . . . . 0.0 112.328 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.565 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 71.9 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.848 0.356 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.6 t -56.74 -36.89 70.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -53.96 -24.32 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.645 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 22.4 m-70 -70.12 158.45 35.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.825 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.514 HD13 ' HA ' ' A' ' 124' ' ' GLU . 69.0 mt -87.25 -33.08 19.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.645 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.1 p-90 -82.98 18.31 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -112.23 97.23 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.575 ' HB2' ' CE1' ' A' ' 122' ' ' PHE . . . -99.9 35.51 2.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.109 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 34.65 -148.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.4 ' HD2' ' HA3' ' A' ' 31' ' ' GLY . 53.8 Cg_endo -69.79 87.76 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.499 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 26.0 ttp -118.0 137.57 52.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -75.01 162.86 28.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 15.2 ttp-105 -55.2 -52.93 61.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.66 -57.38 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.5 -53.25 8.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.53 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -60.07 -36.13 76.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.855 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 25.8 mt-10 -72.38 -27.32 62.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.4 t -93.16 -22.97 18.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.499 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 26.0 mt -78.08 -55.76 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.65 ' CG ' HD23 ' A' ' 51' ' ' LEU . 28.4 mt -76.38 -18.05 59.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.855 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -46.57 -44.45 18.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -88.64 -31.49 18.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.417 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 14.6 mmp_? -48.79 171.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -90.08 137.29 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.82 122.08 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.45 ' CA ' ' HG3' ' A' ' 119' ' ' GLN . . . 116.71 -20.13 12.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.2 m -65.52 105.81 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 111.162 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.61 ' CD2' HD12 ' A' ' 118' ' ' LEU . 25.5 p90 -94.04 150.94 19.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.753 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -148.81 128.28 13.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.731 HG22 HG12 ' A' ' 64' ' ' ILE . 4.0 t -96.83 138.71 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.502 ' HD3' HD11 ' A' ' 51' ' ' LEU . 21.9 ptt85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.547 ' HB3' HD12 ' A' ' 77' ' ' ILE . 60.2 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.861 0.363 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.69 136.47 11.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.088 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.731 HG12 HG22 ' A' ' 52' ' ' VAL . 8.7 mt -106.3 122.28 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 18.9 t -121.73 131.23 53.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.596 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -138.38 162.98 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -85.81 114.56 22.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.557 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 16.7 t80 -144.22 145.9 32.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.89 ' O ' HG22 ' A' ' 70' ' ' VAL . 10.4 t-20 51.35 32.7 8.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.89 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 65.34 25.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.3 pt-20 -143.8 139.1 29.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.562 HG11 ' HA ' ' A' ' 39' ' ' GLU . 99.6 t -78.66 96.63 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 65' ' ' SER . 22.2 mmtt -83.24 153.65 24.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -124.72 147.97 48.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.626 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 64' ' ' ILE . 33.2 mm -119.38 146.24 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.118 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.68 114.8 26.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.595 HD11 HG13 ' A' ' 64' ' ' ILE . 83.0 mt -93.54 126.67 45.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.1 mtm -107.4 159.0 16.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.3 p -134.82 139.75 45.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.83 124.95 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 68.31 25.0 7.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.19 20.88 63.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.519 ' O ' HG22 ' A' ' 79' ' ' THR . 12.5 mt -113.61 167.77 10.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.416 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 54.3 m-85 -128.75 124.38 35.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.432 ' NE ' ' O ' ' A' ' 87' ' ' THR . 0.0 OUTLIER -161.9 131.19 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.571 HG12 ' CE2' ' A' ' 102' ' ' TYR . 3.1 pt -71.33 -11.68 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.432 ' O ' ' NE ' ' A' ' 85' ' ' ARG . 6.3 t -148.33 166.13 28.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.4 37.34 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 89' ' ' LYS . 1.5 mmmp? -98.91 -39.2 8.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.601 ' HE3' ' CE2' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -163.63 121.15 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -96.4 159.88 14.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.604 ' CD1' HD23 ' A' ' 98' ' ' LEU . 7.6 m-85 -137.34 158.35 44.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 56.1 mmt-85 -50.3 -48.64 55.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.96 179.22 30.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.3 mm? -48.96 -63.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 95' ' ' LEU . 20.8 m -32.63 -48.54 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -71.78 -58.33 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.604 HD23 ' CD1' ' A' ' 92' ' ' PHE . 2.0 tm? -43.73 -52.53 6.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.892 HG13 ' HG ' ' A' ' 118' ' ' LEU . 61.2 t -60.4 -45.4 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -48.36 -38.44 19.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.563 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 38.6 t80 -67.89 -56.8 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.571 ' CE2' HG12 ' A' ' 86' ' ' ILE . 13.6 m-85 -58.81 -18.41 31.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.615 ' OE1' HG12 ' A' ' 99' ' ' VAL . 31.9 mt-30 -70.51 -13.67 62.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 101' ' ' PHE . 1.3 pt20 -115.55 -22.03 9.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.523 ' O ' HG22 ' A' ' 117' ' ' THR . 8.6 m120 -121.45 145.72 47.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.512 ' HA ' HG23 ' A' ' 117' ' ' THR . 23.3 t -67.19 143.46 56.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.2 mp -74.19 -7.37 52.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 33.1 pttt -41.68 -36.0 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 109' ' ' ASP . 1.2 t0 -41.6 -43.85 2.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 35.2 t -90.95 -33.41 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 114' ' ' LEU . 94.5 m-85 -133.28 80.6 1.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -39.33 -44.2 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 60.3 p -60.66 -37.37 81.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 111' ' ' PHE . 21.8 tp -99.52 95.09 6.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.27 66.93 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.557 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 13.3 t -118.79 -178.83 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 105' ' ' ASN . 9.4 p -147.47 166.99 25.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.892 ' HG ' HG13 ' A' ' 99' ' ' VAL . 1.7 mm? -77.48 94.87 4.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.45 ' HG3' ' CA ' ' A' ' 48' ' ' GLY . 6.0 mt-30 -75.71 -71.58 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -143.35 153.35 59.16 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 54.2 Cg_endo -69.76 163.31 38.74 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 2.279 . . . . 0.0 112.363 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.606 ' CE1' ' HG3' ' A' ' 123' ' ' LYS . 8.7 p90 -78.59 -41.14 32.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.606 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 21.8 mttm -62.39 -26.28 68.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.514 ' HA ' HD13 ' A' ' 27' ' ' LEU . 3.4 tt0 -31.26 128.39 0.29 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 110.958 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.139 0 C-N-CA 122.691 2.261 . . . . 0.0 112.314 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.591 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 96.3 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.2 m -60.29 -37.66 81.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.4 m -53.5 -20.22 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.609 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 36.9 m-70 -78.8 157.08 28.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 124' ' ' GLU . 62.8 mt -83.55 -33.58 25.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.609 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 7.3 p-90 -82.99 18.95 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.591 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 8.4 t80 -115.06 96.03 5.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB2' ' CE1' ' A' ' 122' ' ' PHE . . . -97.0 37.18 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 34.4 -147.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 94.8 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.366 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.504 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 34.1 ttp -126.59 137.13 53.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -78.27 153.17 32.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.496 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 35.4 ttp180 -43.17 -59.16 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . -37.33 -63.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.97 -54.48 3.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.465 ' HB1' HD21 ' A' ' 51' ' ' LEU . . . -58.2 -38.27 76.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.735 0.302 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.638 ' HA ' HG21 ' A' ' 72' ' ' VAL . 26.2 mt-10 -70.49 -27.85 64.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 t -91.04 -23.94 20.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.504 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 19.2 mt -77.16 -58.44 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.104 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.646 ' CG ' HD23 ' A' ' 51' ' ' LEU . 30.7 mt -68.93 -19.49 64.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.606 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -46.33 -48.28 18.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -86.02 -32.31 21.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.465 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 20.9 mmt180 -47.23 171.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -93.71 135.78 34.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' SER . 3.3 p-10 -37.02 124.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.452 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 113.6 -21.51 16.55 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.445 ' O ' HD22 ' A' ' 42' ' ' LEU . 8.0 m -64.92 106.92 1.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.125 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.865 ' CD2' HD12 ' A' ' 118' ' ' LEU . 21.7 p90 -95.24 156.01 16.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.649 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -152.83 130.71 11.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.761 HG22 HG12 ' A' ' 64' ' ' ILE . 19.6 t -100.65 129.95 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 6.9 ptt-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.546 ' HB3' HD12 ' A' ' 77' ' ' ILE . 56.0 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.414 ' O ' ' NH1' ' A' ' 53' ' ' ARG . . . -156.86 142.87 17.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.761 HG12 HG22 ' A' ' 52' ' ' VAL . 10.4 mt -109.97 111.22 35.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 4.3 t -109.33 131.25 55.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.655 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -138.1 162.7 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.444 ' HE3' ' C ' ' A' ' 70' ' ' VAL . 20.3 tptt -84.44 113.62 21.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.558 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 18.3 t80 -144.43 140.93 29.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.911 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.5 t30 51.87 31.15 7.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.911 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.44 25.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.0 pt-20 -143.11 135.68 27.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.638 HG21 ' HA ' ' A' ' 39' ' ' GLU . 68.0 t -78.26 98.62 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -83.43 156.88 22.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.496 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 49.7 m-70 -119.25 146.95 44.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.59 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.657 ' CG2' HD13 ' A' ' 86' ' ' ILE . 4.1 mm -126.9 97.17 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -56.08 126.18 24.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.546 HD12 ' HB3' ' A' ' 62' ' ' PHE . 95.3 mt -103.23 116.2 46.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 mtm -94.18 142.36 27.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.9 p -120.25 133.98 55.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.16 118.2 9.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 68.46 25.01 6.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.22 -13.93 65.86 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.469 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 7.1 mt -79.16 153.52 30.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -114.49 125.96 54.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.678 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 25.3 ptt85 -162.15 135.94 6.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.657 HD13 ' CG2' ' A' ' 75' ' ' ILE . 5.6 pt -82.25 -14.41 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.8 t -140.48 147.67 39.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -77.66 47.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -112.65 -43.3 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.578 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.4 tmtt? -154.5 121.11 5.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.678 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -99.78 149.22 23.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.038 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.578 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 8.9 m-85 -124.48 166.76 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -59.8 -46.84 87.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.7 179.9 28.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.453 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.3 mm? -52.68 -62.36 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.4 m -32.41 -44.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -75.76 -58.37 3.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.529 HD22 ' O ' ' A' ' 98' ' ' LEU . 1.6 tm? -43.82 -48.25 8.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.919 HG13 ' HG ' ' A' ' 118' ' ' LEU . 57.4 t -64.76 -45.14 96.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -49.73 -44.65 48.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.48 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 43.3 t80 -62.0 -49.4 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.702 ' HB3' HD21 ' A' ' 107' ' ' LEU . 11.3 m-85 -65.57 -23.08 66.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.487 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 79.0 mt-30 -68.61 -11.4 60.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.472 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.1 pt20 -117.8 -20.18 8.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.559 ' O ' HG22 ' A' ' 117' ' ' THR . 12.7 m-80 -123.73 146.02 48.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.535 ' HA ' HG23 ' A' ' 117' ' ' THR . 9.8 t -61.68 147.24 46.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.702 HD21 ' HB3' ' A' ' 102' ' ' TYR . 1.2 mm? -77.45 -11.98 59.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 15.9 pttp -41.93 -34.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 82.3 m-20 -37.98 -38.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.1 t -101.66 -32.19 10.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 114' ' ' LEU . 92.1 m-85 -131.06 80.73 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.9 OUTLIER -41.53 -33.08 0.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.446 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 36.1 t -69.83 -38.36 76.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 111' ' ' PHE . 30.9 tp -96.82 96.39 8.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.944 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.11 71.91 1.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.558 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 10.6 t -125.99 -179.36 4.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.18 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 105' ' ' ASN . 8.0 p -148.44 151.81 35.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.919 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.5 mm? -61.96 96.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.452 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.2 mt-30 -75.97 -72.87 0.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -144.08 153.47 56.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.656 0.741 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.6 Cg_endo -69.77 162.7 41.08 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.241 . . . . 0.0 112.313 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.679 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 8.3 p90 -75.68 -35.94 60.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.607 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 16.3 mtmt -70.35 -23.06 62.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.556 ' HA ' HD13 ' A' ' 27' ' ' LEU . 2.3 tm-20 -32.77 133.43 0.3 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.674 0.75 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.26 . . . . 0.0 112.335 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.601 ' HA ' ' CE1' ' A' ' 26' ' ' HIS . 38.0 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.843 0.354 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.418 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 3.0 m -57.96 -32.55 67.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.2 m -53.87 -30.39 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.601 ' CE1' ' HA ' ' A' ' 23' ' ' LEU . 15.0 m80 -65.85 175.08 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.5 mt -96.53 -52.76 3.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.454 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 2.1 p-90 -58.99 -21.89 59.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.461 ' CE1' ' HB2' ' A' ' 23' ' ' LEU . 19.1 t80 -72.08 111.49 7.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.884 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -116.48 35.63 4.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 37.69 -155.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 99.64 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.719 2.279 . . . . 0.0 112.32 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.1 ttp -127.97 139.7 52.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -70.71 160.97 31.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.588 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 29.9 ttp180 -53.6 -50.41 65.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.63 -64.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.27 -51.3 2.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.506 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -63.37 -35.66 81.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.74 0.305 . . . . 0.0 111.1 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.776 ' HA ' HG21 ' A' ' 72' ' ' VAL . 28.2 mt-10 -77.09 -22.93 52.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.4 t -95.15 -24.39 16.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 45' ' ' ARG . 21.9 mt -76.08 -57.19 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.601 HD11 HD23 ' A' ' 51' ' ' LEU . 15.1 mt -75.05 -10.92 59.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.629 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -49.26 -50.1 40.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -85.54 -31.66 22.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.637 ' HE ' HG21 ' A' ' 49' ' ' THR . 29.4 mmm180 -47.93 174.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.98 138.4 31.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -40.85 127.48 2.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.476 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 113.0 -20.52 19.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.532 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.637 HG21 ' HE ' ' A' ' 45' ' ' ARG . 26.2 m -65.15 106.49 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.363 . . . . 0.0 111.149 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.655 ' HB2' HG22 ' A' ' 66' ' ' ILE . 27.5 p90 -95.1 153.81 17.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.601 HD23 HD11 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -151.55 127.07 10.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.432 HG22 HG12 ' A' ' 64' ' ' ILE . 16.0 t -96.4 140.89 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 2.1 ptt-85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.521 ' HB3' HD12 ' A' ' 77' ' ' ILE . 75.6 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.845 0.355 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.447 ' O ' ' NH1' ' A' ' 53' ' ' ARG . . . -151.34 140.4 21.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.848 HG13 HD11 ' A' ' 77' ' ' ILE . 53.9 mt -108.95 127.4 65.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 4.8 t -128.39 129.5 46.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.666 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -136.41 169.42 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -92.0 116.23 28.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.555 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 15.1 t80 -144.69 143.11 30.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.879 ' O ' HG22 ' A' ' 70' ' ' VAL . 7.3 t30 51.09 33.6 9.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.879 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 65.28 25.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 68' ' ' TYR . 5.0 pt-20 -143.1 139.38 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.776 HG21 ' HA ' ' A' ' 39' ' ' GLU . 64.6 t -79.41 98.07 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 65' ' ' SER . 29.4 mmtt -82.96 157.63 22.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.588 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 6.1 m-70 -128.62 155.26 45.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.617 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.636 HG21 HD13 ' A' ' 86' ' ' ILE . 33.5 mt -138.4 126.83 30.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.138 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -76.21 137.82 40.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.848 HD11 HG13 ' A' ' 64' ' ' ILE . 95.7 mt -110.7 131.12 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.2 mtm -106.57 158.52 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.3 p -134.34 139.75 45.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.609 ' HB3' HH12 ' A' ' 85' ' ' ARG . . . -158.91 123.48 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 66.66 24.96 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.35 21.43 58.54 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.622 ' O ' HG22 ' A' ' 79' ' ' THR . 6.7 mt -113.43 172.82 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.595 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 38.6 m-85 -134.95 125.74 27.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.769 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 5.8 ptt-85 -161.83 128.84 3.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.636 HD13 HG21 ' A' ' 75' ' ' ILE . 3.7 pt -71.92 -20.12 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.41 ' N ' HG13 ' A' ' 86' ' ' ILE . 6.4 t -137.18 151.63 49.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.81 47.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -112.0 -37.04 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.498 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 22.6 tptt -161.3 130.19 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.952 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.769 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -111.43 158.56 18.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.081 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.532 ' N ' ' CD1' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -138.53 158.64 43.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.458 ' CD ' ' H ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -44.14 -58.3 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.422 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -143.99 -179.52 20.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.595 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.0 mm? -49.51 -59.5 3.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 95' ' ' LEU . 16.7 m -32.82 -47.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -72.2 -60.98 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.621 HD11 ' CE2' ' A' ' 102' ' ' TYR . 1.9 tm? -41.08 -49.49 3.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.841 HG13 ' HG ' ' A' ' 118' ' ' LEU . 60.3 t -64.74 -42.41 94.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -51.62 -35.53 42.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.53 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 30.9 t80 -73.87 -58.4 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.621 ' CE2' HD11 ' A' ' 98' ' ' LEU . 22.0 m-30 -55.31 -12.23 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.931 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.492 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 18.4 mt-30 -73.62 -22.6 59.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.944 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.609 ' HG2' ' ND2' ' A' ' 105' ' ' ASN . 8.3 pt20 -115.34 -9.31 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.609 ' ND2' ' HG2' ' A' ' 104' ' ' GLN . 0.1 OUTLIER -126.98 118.87 25.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.599 ' HA ' HG23 ' A' ' 117' ' ' THR . 46.6 t -46.89 149.4 0.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.479 HD12 HD13 ' A' ' 75' ' ' ILE . 1.5 mm? -76.62 -11.15 59.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -43.16 -26.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.78 -39.49 25.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 14.4 t -98.43 -33.02 11.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -133.39 85.99 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 113' ' ' SER . 4.1 pttp -45.81 -28.91 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.468 ' N ' ' HG3' ' A' ' 112' ' ' LYS . 51.6 p -72.78 -33.87 66.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 12.7 tp -99.32 92.95 5.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.58 77.51 2.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.555 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 15.0 t -130.76 -176.84 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.599 HG23 ' HA ' ' A' ' 106' ' ' SER . 1.9 p -153.15 149.32 27.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.841 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.6 mm? -63.42 91.07 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.476 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 6.9 mt-30 -74.07 -72.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.963 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -142.0 151.36 58.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.692 0.758 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 54.3 Cg_endo -69.74 163.5 38.02 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 2.247 . . . . 0.0 112.401 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.884 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 15.6 p90 -75.94 -34.74 59.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.608 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 21.6 mttt -71.57 -23.71 61.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.5 tm-20 -32.6 134.56 0.28 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.667 0.746 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.721 2.281 . . . . 0.0 112.344 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.57 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 31.4 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.789 0.328 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.1 p -59.46 -35.9 74.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 m -56.5 -31.62 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.564 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 34.7 m-70 -66.92 160.09 26.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 124' ' ' GLU . 85.2 mt -87.86 -34.27 18.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.564 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 7.0 p-90 -81.57 19.06 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.57 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 20.3 t80 -113.46 93.22 4.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.554 ' HB2' ' CE1' ' A' ' 122' ' ' PHE . . . -91.09 25.4 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 40.64 -142.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 88.28 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.711 2.274 . . . . 0.0 112.361 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.2 ttp -124.83 141.96 51.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -88.36 168.81 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.55 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 48.0 ttp180 -54.48 -54.25 43.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.66 -60.93 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.07 -52.34 6.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.522 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.496 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -61.87 -40.99 97.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.852 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 71.7 mt-10 -67.44 -27.06 66.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.4 t -93.03 -19.38 21.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.0 mt -84.67 -55.78 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.143 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.654 HD13 ' HA ' ' A' ' 66' ' ' ILE . 41.1 mt -75.0 -15.25 60.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.852 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -51.28 -45.24 62.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -89.38 -31.34 17.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.405 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 5.1 mmp_? -46.86 173.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.1 m -92.85 133.79 35.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.4 OUTLIER -36.56 118.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.447 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 119.73 -20.52 9.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.538 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 122' ' ' PHE . 5.6 m -64.9 101.62 0.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.761 0.315 . . . . 0.0 111.186 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.724 ' CD2' HD12 ' A' ' 118' ' ' LEU . 23.8 p90 -91.63 152.02 20.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.822 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -150.29 131.81 14.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.492 HG22 HG12 ' A' ' 64' ' ' ILE . 29.6 t -100.32 140.98 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.134 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 3.9 ptt-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.452 ' HB3' HD12 ' A' ' 77' ' ' ILE . 65.1 m-85 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.78 140.44 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.124 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.805 HG13 HD11 ' A' ' 77' ' ' ILE . 74.1 mt -103.75 115.76 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 2.5 t -120.29 129.34 53.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.654 ' HA ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -139.44 162.54 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -86.09 116.29 24.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 116' ' ' THR . 13.6 t80 -143.85 142.69 30.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.875 ' O ' HG22 ' A' ' 70' ' ' VAL . 20.2 t30 50.82 33.57 8.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 65.25 25.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.167 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 68' ' ' TYR . 3.8 pt-20 -141.85 138.44 32.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.604 HG21 ' HA ' ' A' ' 39' ' ' GLU . 66.5 t -79.63 98.97 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -82.98 156.96 23.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.55 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 7.7 m-70 -131.22 150.75 52.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.642 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.545 HD13 HD12 ' A' ' 107' ' ' LEU . 54.5 mt -133.86 127.51 52.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.155 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.59 135.08 38.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.805 HD11 HG13 ' A' ' 64' ' ' ILE . 88.4 mt -110.55 127.98 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.7 mtm -105.83 157.61 17.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.3 p -129.63 141.87 50.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.151 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.14 124.72 3.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 65.88 25.03 11.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.66 19.32 64.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.529 ' O ' HG22 ' A' ' 79' ' ' THR . 5.7 mt -111.48 168.58 9.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -129.66 122.89 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.684 ' CZ ' ' HB2' ' A' ' 91' ' ' ALA . 14.4 ptt180 -161.89 129.53 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.545 HD13 HG21 ' A' ' 75' ' ' ILE . 41.9 pt -68.88 -23.15 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.45 HG21 ' SG ' ' A' ' 110' ' ' CYS . 8.8 t -133.08 149.62 52.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -78.33 48.01 0.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -109.29 -45.04 3.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.581 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.8 tmtt? -154.93 116.89 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.684 ' HB2' ' CZ ' ' A' ' 85' ' ' ARG . . . -94.05 154.29 17.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.634 ' CD1' HD23 ' A' ' 98' ' ' LEU . 9.2 m-85 -129.88 158.83 38.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 93' ' ' ARG . 4.7 mmm180 -52.23 -42.02 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.68 175.4 36.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.1 mm? -48.17 -59.14 3.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.92 0.391 . . . . 0.0 110.946 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 95' ' ' LEU . 10.2 m -32.66 -42.37 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -79.75 -58.3 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.634 HD23 ' CD1' ' A' ' 92' ' ' PHE . 2.1 tm? -43.03 -44.51 4.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.972 HG13 ' HG ' ' A' ' 118' ' ' LEU . 86.5 t -69.59 -43.98 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -53.3 -45.24 68.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.461 ' O ' ' HG3' ' A' ' 104' ' ' GLN . 55.1 t80 -61.9 -38.13 87.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.487 ' HB3' ' CD2' ' A' ' 118' ' ' LEU . 11.3 m-85 -77.08 -20.52 55.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.494 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 75.0 mt-30 -67.75 -20.72 65.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.514 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 4.8 pt20 -106.43 -24.09 12.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.514 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 26.0 m-80 -118.51 140.3 50.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.515 ' HA ' HG23 ' A' ' 117' ' ' THR . 32.7 t -67.4 148.02 52.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.545 HD12 HD13 ' A' ' 75' ' ' ILE . 2.1 mm? -72.16 -10.45 59.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.946 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 41.3 pttt -41.86 -44.1 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.458 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 27.3 t70 -44.93 -49.85 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.45 ' SG ' HG21 ' A' ' 87' ' ' THR . 9.6 m -82.95 -37.21 24.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -134.91 87.21 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -43.01 -46.32 5.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.2 t -56.9 -33.29 66.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.6 tp -102.59 92.59 4.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -102.49 73.81 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.571 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 10.5 t -138.55 179.84 6.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.515 HG23 ' HA ' ' A' ' 106' ' ' SER . 8.1 p -142.1 154.52 44.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.972 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.6 mm? -63.63 88.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.447 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.6 mt-30 -65.63 -73.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.465 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -144.05 154.74 58.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.688 0.756 . . . . 0.0 110.878 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.435 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.1 Cg_endo -69.84 163.55 37.91 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.665 2.243 . . . . 0.0 112.314 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.61 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 12.8 p90 -77.87 -40.42 40.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.61 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 21.3 mttt -63.35 -25.58 68.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.496 ' HA ' HD13 ' A' ' 27' ' ' LEU . 3.3 tm-20 -32.71 133.15 0.3 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.335 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.453 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 87.6 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.828 0.347 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.0 p -59.77 -30.07 68.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 m -57.23 -19.76 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.573 ' CE1' ' OG1' ' A' ' 96' ' ' THR . 18.6 m80 -80.21 167.54 20.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 124' ' ' GLU . 40.6 mt -93.2 -33.06 14.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -83.11 17.23 2.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.453 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 12.1 t80 -109.19 96.88 6.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.834 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -99.26 30.58 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.112 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.9 -144.59 0.25 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 87.76 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.671 2.247 . . . . 0.0 112.345 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.768 ' HE3' ' CB ' ' A' ' 30' ' ' ALA . 14.7 ttm -115.86 143.74 44.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.424 ' N ' ' HG2' ' A' ' 33' ' ' MET . 36.1 mt-10 -89.77 159.08 17.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -47.62 -53.26 15.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.78 -56.58 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.78 -51.34 18.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.632 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -63.59 -37.5 87.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.753 0.311 . . . . 0.0 111.072 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.733 ' HA ' HG21 ' A' ' 72' ' ' VAL . 27.6 mt-10 -72.52 -27.1 62.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.6 m -92.01 -23.54 19.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.9 mt -79.06 -57.95 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.648 HD13 ' HA ' ' A' ' 66' ' ' ILE . 33.9 mt -72.6 -10.37 59.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -51.8 -54.76 25.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -81.43 -32.55 32.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -45.58 168.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.3 m -86.63 133.06 33.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' SER . 4.1 p-10 -37.71 121.85 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.44 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 117.51 -19.83 11.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.459 ' O ' HD22 ' A' ' 42' ' ' LEU . 27.9 m -65.22 100.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 111.12 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.667 ' CD2' HD12 ' A' ' 118' ' ' LEU . 25.1 p90 -86.83 152.03 22.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.828 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -149.29 130.23 14.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.543 HG22 HG12 ' A' ' 64' ' ' ILE . 17.0 t -98.23 131.87 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.46 ' HD3' HD11 ' A' ' 51' ' ' LEU . 29.9 ptt85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 . . . . . 0 CA--C 1.526 0.049 0 CA-C-O 120.909 0.385 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.34 143.66 20.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.724 HG13 HD11 ' A' ' 77' ' ' ILE . 17.0 mt -106.83 124.69 62.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.427 ' O ' HD11 ' A' ' 42' ' ' LEU . 8.0 m -126.64 128.81 47.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.669 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -135.68 167.93 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.098 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.46 ' CE ' ' HA ' ' A' ' 70' ' ' VAL . 24.9 tptt -89.57 116.35 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.597 ' CE1' ' HB ' ' A' ' 116' ' ' THR . 11.2 t80 -145.3 139.83 27.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.829 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.7 t30 51.54 32.73 9.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.829 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 64.3 25.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.1 pt-20 -140.14 129.17 23.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.733 HG21 ' HA ' ' A' ' 39' ' ' GLU . 57.8 t -74.19 99.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -82.68 157.04 23.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -133.41 138.79 46.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.592 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.507 HG21 HD12 ' A' ' 86' ' ' ILE . 56.4 mt -124.89 127.73 72.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 138.54 41.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.724 HD11 HG13 ' A' ' 64' ' ' ILE . 97.4 mt -110.99 105.9 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.7 mtm -78.29 137.77 38.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.2 p -117.47 139.54 50.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.09 128.66 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 64.49 25.04 13.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.55 16.17 71.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.536 ' O ' HG22 ' A' ' 79' ' ' THR . 4.2 mt -106.93 165.61 11.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.446 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 72.6 m-85 -127.67 121.63 30.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.518 ' CD ' ' HB2' ' A' ' 91' ' ' ALA . 19.2 ptt85 -161.78 131.82 4.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.507 HD12 HG21 ' A' ' 75' ' ' ILE . 18.2 pt -74.09 -16.99 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.425 ' O ' ' HD2' ' A' ' 85' ' ' ARG . 5.1 t -136.36 144.5 44.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -77.59 45.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -112.4 -38.13 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.614 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.1 tmtm? -156.17 114.09 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.518 ' HB2' ' CD ' ' A' ' 85' ' ' ARG . . . -95.77 154.16 17.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.66 ' CD1' HD23 ' A' ' 98' ' ' LEU . 10.6 m-85 -127.74 160.8 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -57.82 -40.29 79.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.0 173.73 34.61 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.1 mm? -48.91 -61.74 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.573 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 11.5 m -33.22 -45.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 100' ' ' GLU . 46.3 mm-40 -74.01 -56.64 4.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.66 HD23 ' CD1' ' A' ' 92' ' ' PHE . 2.3 tm? -45.04 -49.83 11.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.909 HG13 ' HG ' ' A' ' 118' ' ' LEU . 46.1 t -62.48 -44.2 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 97' ' ' GLU . 4.7 mt-10 -48.06 -47.08 34.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.474 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 32.1 t80 -61.86 -48.74 79.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.607 ' HE2' HD11 ' A' ' 98' ' ' LEU . 20.0 m-85 -68.18 -20.09 64.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.496 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 56.4 mt-30 -70.21 -11.42 60.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.958 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.472 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.1 pt20 -115.75 -21.41 9.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.472 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 13.2 m-80 -119.27 149.11 42.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.467 ' HB3' ' CE ' ' A' ' 108' ' ' LYS . 31.1 t -75.31 138.6 41.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.431 HD12 HD13 ' A' ' 75' ' ' ILE . 2.2 mm? -62.86 -13.34 32.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.467 ' CE ' ' HB3' ' A' ' 106' ' ' SER . 6.9 ptpt -41.8 -36.77 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -50.42 -45.73 55.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.426 ' SG ' HD11 ' A' ' 86' ' ' ILE . 3.8 m -85.15 -39.11 18.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 114' ' ' LEU . 92.6 m-85 -135.05 87.13 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 111' ' ' PHE . 1.4 tmmt? -33.96 -64.31 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.452 ' N ' ' HD2' ' A' ' 112' ' ' LYS . 8.9 m -40.3 -40.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 111' ' ' PHE . 3.8 tp -92.17 97.11 10.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 115' ' ' ASP . 29.0 t0 -111.27 65.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.597 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 14.6 t -129.01 -175.65 3.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 105' ' ' ASN . 39.2 p -144.34 159.28 42.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.909 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.4 mm? -69.78 89.23 0.56 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.44 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 11.3 mt-30 -67.21 -74.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.484 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 1.1 m-85 -142.36 155.58 64.36 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.649 0.738 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.6 Cg_endo -69.78 169.69 18.36 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.661 2.241 . . . . 0.0 112.309 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.834 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 17.2 p90 -81.01 -37.99 28.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.609 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 28.6 mttt -67.59 -24.22 65.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.2 tt0 -32.99 128.06 0.38 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.721 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.15 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.527 ' HA ' ' CE1' ' A' ' 26' ' ' HIS . 51.4 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.807 0.337 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.437 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 62.3 p -57.21 -36.4 70.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.8 m -55.91 -21.23 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.088 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.527 ' CE1' ' HA ' ' A' ' 23' ' ' LEU . 21.1 m170 -72.85 162.69 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.495 HD13 ' HA ' ' A' ' 124' ' ' GLU . 47.9 mt -89.64 -34.76 16.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.409 ' CH2' ' ND1' ' A' ' 26' ' ' HIS . 5.3 p-90 -80.64 15.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.437 ' CD2' ' HA ' ' A' ' 24' ' ' SER . 6.8 t80 -106.09 95.75 5.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.749 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -99.77 34.77 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.07 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 34.28 -147.64 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 134.48 28.15 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.25 . . . . 0.0 112.34 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.426 ' CE ' ' CD1' ' A' ' 41' ' ' ILE . 14.7 ttp -172.61 148.85 2.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.824 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -84.61 171.31 12.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 31.8 ttp180 -60.75 -50.19 74.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.54 -57.68 3.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.1 -62.89 3.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.434 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.523 ' HB2' ' HD3' ' A' ' 53' ' ' ARG . . . -50.52 -39.65 49.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 111.121 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.6 ' HA ' HG21 ' A' ' 72' ' ' VAL . 25.7 mt-10 -67.65 -23.16 65.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -95.74 -20.27 19.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.426 ' CD1' ' CE ' ' A' ' 33' ' ' MET . 84.2 mt -78.53 -51.5 17.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.764 HD12 HG13 ' A' ' 72' ' ' VAL . 10.1 mt -79.58 -10.47 59.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -49.35 -41.69 39.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -93.71 -27.22 16.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.482 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 5.5 mmp_? -48.41 176.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.23 142.47 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -45.82 101.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.467 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 132.92 -18.19 4.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.483 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.762 ' O ' HD22 ' A' ' 42' ' ' LEU . 31.5 m -64.76 100.84 0.42 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.8 0.333 . . . . 0.0 111.117 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.689 ' CD2' HD12 ' A' ' 118' ' ' LEU . 21.0 p90 -88.0 156.31 19.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.716 HD23 ' CG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -154.96 128.02 8.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.926 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.75 HG22 HG12 ' A' ' 64' ' ' ILE . 15.0 t -94.97 130.38 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.523 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 27.8 ptt85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.629 ' HB3' HD12 ' A' ' 77' ' ' ILE . 58.2 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.842 0.353 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 75' ' ' ILE . . . -147.07 136.12 22.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.75 HG12 HG22 ' A' ' 52' ' ' VAL . 13.9 mt -105.94 110.38 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 51' ' ' LEU . 6.9 m -111.77 132.91 54.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.677 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -135.74 167.13 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.151 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.508 ' HG3' ' HZ2' ' A' ' 67' ' ' LYS . 3.9 tptp -89.34 108.13 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.447 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 17.1 t80 -146.23 155.07 42.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.702 ' O ' HG22 ' A' ' 70' ' ' VAL . 9.8 t-20 49.67 36.76 11.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 70' ' ' VAL . 0.7 OUTLIER 58.35 24.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 5.1 pt-20 -147.86 151.3 35.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.764 HG13 HD12 ' A' ' 42' ' ' LEU . 46.7 t -86.55 93.3 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 65' ' ' SER . 10.9 mmtt -82.38 152.72 26.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.576 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 7.9 m-70 -121.15 152.6 38.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.621 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 3.1 mm -124.44 119.96 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.108 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -73.66 121.02 20.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.651 HD11 HG13 ' A' ' 64' ' ' ILE . 66.7 mt -97.28 127.42 49.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.4 mtm -102.93 155.26 18.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.84 139.29 51.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.157 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.16 126.82 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 66.39 25.08 10.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.26 15.61 76.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.4 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 7.1 mt -110.59 165.64 11.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 110.94 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -125.48 127.73 46.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.503 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 10.4 ptt180 -162.29 129.4 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.548 HG12 ' CZ ' ' A' ' 102' ' ' TYR . 5.4 pt -68.9 -19.05 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.5 t -142.94 152.26 41.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -76.8 47.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -111.24 -34.69 6.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 16.8 tptt -163.56 124.01 2.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.503 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -103.85 151.6 22.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' A' ' 101' ' ' PHE . 3.5 m-85 -130.06 167.37 18.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 55.2 mmt-85 -57.56 -43.35 84.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.01 179.89 34.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.5 mm? -45.69 -65.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.869 0.366 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 95' ' ' LEU . 4.5 m -32.23 -55.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.432 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 8.0 mm-40 -62.62 -54.47 39.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.947 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.3 tm? -49.73 -60.9 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.851 HG13 ' HG ' ' A' ' 118' ' ' LEU . 45.2 t -54.92 -46.55 76.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -47.37 -37.66 11.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.479 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 60.2 t80 -71.68 -55.57 7.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.947 ' CE2' HD21 ' A' ' 98' ' ' LEU . 21.2 m-85 -56.46 -16.63 6.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.97 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.478 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 30.7 mt-30 -72.35 -19.56 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 101' ' ' PHE . 3.6 pt20 -110.63 -15.47 13.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.724 ' O ' HG22 ' A' ' 117' ' ' THR . 11.5 m120 -122.48 148.85 44.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.645 ' HA ' HG23 ' A' ' 117' ' ' THR . 2.8 m -69.19 147.08 51.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.552 HD23 ' HA ' ' A' ' 117' ' ' THR . 1.3 mm? -78.97 -14.09 59.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -42.18 -35.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -40.36 -41.09 1.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.844 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.1 t -96.94 -33.59 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 112' ' ' LYS . 93.5 m-85 -134.23 82.28 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 111' ' ' PHE . 1.7 ttmm -37.86 -62.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.1 t -41.15 -40.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 25.9 tp -93.79 96.59 9.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.79 66.09 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.447 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 11.6 t -124.1 -174.49 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.724 HG22 ' O ' ' A' ' 105' ' ' ASN . 1.5 p -152.24 165.95 33.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.851 ' HG ' HG13 ' A' ' 99' ' ' VAL . 1.6 mm? -73.25 95.45 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.467 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.4 mt-30 -76.34 -72.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -142.53 154.1 62.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.726 . . . . 0.0 110.913 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.8 Cg_endo -69.74 168.32 21.88 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.749 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 10.9 p90 -80.56 -35.8 33.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.609 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 18.5 mtmt -70.77 -23.07 62.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.495 ' HA ' HD13 ' A' ' 27' ' ' LEU . 3.1 tm-20 -32.06 133.01 0.28 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.727 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.149 0 C-N-CA 122.733 2.288 . . . . 0.0 112.358 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 78.3 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.804 0.335 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 t -59.64 -35.76 75.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.9 m -53.6 -30.71 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.447 ' ND1' ' CH2' ' A' ' 28' ' ' TRP . 20.0 m80 -67.78 159.97 29.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.433 HD22 ' HB3' ' A' ' 123' ' ' LYS . 55.2 mt -86.89 -33.53 19.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.447 ' CH2' ' ND1' ' A' ' 26' ' ' HIS . 5.4 p-90 -82.27 19.4 1.21 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.478 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 9.5 t80 -113.4 94.89 5.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.813 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -94.56 37.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.55 -151.53 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 107.17 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.543 ' HE3' ' HB1' ' A' ' 30' ' ' ALA . 30.1 ttm -140.38 150.67 44.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.493 ' N ' ' HG2' ' A' ' 33' ' ' MET . 50.9 mt-10 -89.15 171.57 9.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.571 ' HD2' ' CE1' ' A' ' 74' ' ' HIS . 4.1 tpp85 -57.22 -65.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . -35.53 -54.92 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.1 -56.18 8.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.95 -33.4 70.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.712 0.291 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.628 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 23.7 mt-10 -74.17 -20.8 60.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 t -94.16 -24.36 17.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.0 mt -76.24 -58.77 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.581 HD22 ' O ' ' A' ' 49' ' ' THR . 10.9 mt -72.02 -12.31 61.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -50.41 -40.76 50.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -95.25 -29.31 14.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.524 ' HE ' HG21 ' A' ' 49' ' ' THR . 29.3 mmm180 -48.96 174.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -96.03 139.97 31.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.1 123.35 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 114.6 -21.71 14.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.581 ' O ' HD22 ' A' ' 42' ' ' LEU . 26.7 m -65.57 100.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 111.113 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.638 ' HB2' HG22 ' A' ' 66' ' ' ILE . 23.7 p90 -88.45 155.7 19.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -154.11 130.55 10.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.493 HG22 HG12 ' A' ' 64' ' ' ILE . 16.8 t -94.17 130.01 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' NH2' ' HD3' ' A' ' 35' ' ' ARG . 24.3 ptt85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.715 ' HB3' HD12 ' A' ' 77' ' ' ILE . 47.7 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.63 139.79 16.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.606 HG13 HD11 ' A' ' 77' ' ' ILE . 60.4 mt -100.63 122.18 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 8.6 t -119.97 131.38 55.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.651 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -140.09 168.88 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' HD2' ' O ' ' A' ' 71' ' ' GLU . 16.2 tptm -90.4 112.07 23.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.529 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 18.0 t80 -139.27 143.79 38.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 1.0 ' O ' HG22 ' A' ' 70' ' ' VAL . 8.4 t-20 50.9 31.08 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.0 HG22 ' O ' ' A' ' 69' ' ' ASN . 1.0 OUTLIER 69.08 24.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -136.2 -179.59 5.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.54 HG21 ' HA ' ' A' ' 39' ' ' GLU . 92.0 t -118.16 92.02 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 65' ' ' SER . 18.8 mmtt -87.74 150.56 23.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.571 ' CE1' ' HD2' ' A' ' 35' ' ' ARG . 7.3 m-70 -120.49 155.12 34.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.604 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.778 HG21 HD13 ' A' ' 86' ' ' ILE . 3.9 mm -128.62 109.4 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.159 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.09 138.46 37.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.715 HD12 ' HB3' ' A' ' 62' ' ' PHE . 83.5 mt -111.77 104.88 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.7 mtm -89.88 139.82 30.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.737 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.3 p -116.86 138.75 51.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.549 ' HB3' HH21 ' A' ' 85' ' ' ARG . . . -149.06 129.92 14.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.083 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 63.71 25.44 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.87 16.18 70.85 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.554 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.737 ' O ' HG22 ' A' ' 79' ' ' THR . 13.0 mt -108.91 168.95 8.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.863 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -122.94 123.72 41.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.549 HH21 ' HB3' ' A' ' 80' ' ' ALA . 18.9 ptt180 -161.39 129.31 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.778 HD13 HG21 ' A' ' 75' ' ' ILE . 5.7 pt -69.42 -20.85 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.413 ' N ' HG13 ' A' ' 86' ' ' ILE . 3.9 t -136.55 148.31 47.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -77.5 45.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -113.13 -35.42 5.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.53 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 26.0 tptt -156.47 122.0 4.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.476 ' CB ' HD13 ' A' ' 83' ' ' LEU . . . -104.11 149.39 25.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.53 ' CZ ' ' HG2' ' A' ' 90' ' ' LYS . 3.4 m-85 -129.41 164.48 23.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 34.9 mmm-85 -58.28 -46.26 86.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -151.14 179.39 27.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.6 mm? -49.45 -61.19 2.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.952 0.406 . . . . 0.0 110.937 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.3 m -33.05 -55.77 0.39 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -63.67 -54.14 40.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.879 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.2 tm? -48.74 -60.86 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.822 HG13 ' HG ' ' A' ' 118' ' ' LEU . 47.4 t -54.33 -44.5 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -47.41 -42.55 22.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.433 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 27.5 t80 -66.64 -54.72 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.879 ' CE2' HD21 ' A' ' 98' ' ' LEU . 22.0 m-85 -60.63 -17.19 45.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.774 ' OE1' HG12 ' A' ' 99' ' ' VAL . 27.9 mt-30 -73.81 -10.4 59.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 101' ' ' PHE . 1.7 pt20 -118.91 -20.17 8.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.568 ' O ' HG22 ' A' ' 117' ' ' THR . 9.7 m120 -119.95 145.35 46.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.565 ' HA ' HG23 ' A' ' 117' ' ' THR . 2.5 t -69.8 132.69 46.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.798 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.418 HD23 HG21 ' A' ' 75' ' ' ILE . 8.3 mp -62.7 -7.6 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -41.89 -30.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -50.74 -44.02 58.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.9 t -86.85 -34.95 19.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 114' ' ' LEU . 99.6 m-85 -134.89 81.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.63 -38.24 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 70.0 m -66.19 -37.04 84.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 111' ' ' PHE . 24.6 tp -98.85 93.91 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -98.31 75.17 2.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.529 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 12.6 t -129.01 169.54 14.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 105' ' ' ASN . 3.9 p -138.85 162.07 35.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.822 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.0 mm? -72.58 91.94 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.443 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 6.2 mt-30 -72.43 -72.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' PHE . 1.2 m-85 -141.64 153.84 65.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.658 0.742 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.458 ' O ' HG23 ' A' ' 49' ' ' THR . 53.9 Cg_endo -69.7 170.49 16.38 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.813 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 23.1 p90 -81.02 -34.65 32.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 17.9 mtmt -75.51 -15.19 60.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.937 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 123' ' ' LYS . 1.8 tt0 -38.1 126.55 1.03 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.666 0.746 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.55 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 64.5 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.809 0.338 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.7 p -60.55 -35.35 75.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -57.82 -22.36 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.565 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 29.9 m-70 -74.35 155.49 38.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 124' ' ' GLU . 57.7 mt -83.75 -31.96 25.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.565 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 7.9 p-90 -84.6 17.46 2.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.479 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 17.9 t80 -112.48 94.06 4.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.95 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.801 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -94.34 33.28 1.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.72 -141.44 0.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.531 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 94.36 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.374 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.504 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 19.3 ttp -129.84 135.72 48.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -83.24 160.92 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.571 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 23.4 ttp-105 -47.39 -55.41 8.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.06 -62.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' ILE . . . -43.32 -53.84 5.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.51 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.436 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -57.19 -38.62 73.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.773 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 19.9 mt-10 -73.01 -27.92 62.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.4 t -93.42 -17.22 23.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.504 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 38.2 mt -84.81 -57.59 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.743 ' CG ' HD23 ' A' ' 51' ' ' LEU . 30.7 mt -75.55 -11.95 60.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -47.44 -56.4 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -80.51 -33.08 36.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.482 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 27.2 mmt180 -42.98 164.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.73 135.63 34.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.99 117.86 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.44 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 122.62 -20.97 7.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.505 ' O ' HD22 ' A' ' 42' ' ' LEU . 10.1 m -64.82 102.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 111.162 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.816 ' CD2' HD12 ' A' ' 118' ' ' LEU . 23.0 p90 -92.63 155.16 17.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.743 HD23 ' CG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -153.9 132.26 11.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.497 HG22 HG12 ' A' ' 64' ' ' ILE . 29.0 t -105.25 127.36 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.507 ' HB3' HD12 ' A' ' 77' ' ' ILE . 45.4 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.893 0.377 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.91 143.82 20.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.661 HG13 HD11 ' A' ' 77' ' ' ILE . 64.3 mt -107.06 122.3 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.6 t -128.14 130.41 48.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.658 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -138.49 165.29 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.469 ' HE3' ' C ' ' A' ' 70' ' ' VAL . 24.7 tptt -83.99 115.29 22.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.579 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 17.1 t80 -145.19 142.64 29.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.871 ' O ' HG22 ' A' ' 70' ' ' VAL . 10.1 t-20 51.28 32.25 8.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.871 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 64.72 24.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.196 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.0 pt-20 -142.05 133.49 26.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.689 HG21 ' HA ' ' A' ' 39' ' ' GLU . 65.5 t -74.64 98.04 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -82.64 157.5 23.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.571 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 2.9 m-70 -134.38 144.82 48.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.566 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.65 HG21 HD13 ' A' ' 86' ' ' ILE . 55.9 mt -127.76 130.71 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.39 140.88 38.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.661 HD11 HG13 ' A' ' 64' ' ' ILE . 94.5 mt -112.15 131.49 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.1 mtm -107.19 142.1 37.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.1 p -116.76 137.43 52.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.28 126.22 5.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.062 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 65.91 24.98 11.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.77 19.78 64.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 79' ' ' THR . 5.3 mt -112.44 170.35 8.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.932 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -131.43 121.62 24.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.778 ' CZ ' ' HB2' ' A' ' 91' ' ' ALA . 13.4 ptt180 -162.03 129.74 4.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.841 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.65 HD13 HG21 ' A' ' 75' ' ' ILE . 13.7 pt -69.05 -23.35 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.1 t -131.53 147.49 52.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -78.11 46.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.464 ' HA ' ' CE ' ' A' ' 89' ' ' LYS . 1.9 mmpt? -109.17 -44.36 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.593 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.0 tmtt? -153.2 115.9 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.778 ' HB2' ' CZ ' ' A' ' 85' ' ' ARG . . . -93.87 152.07 19.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.698 ' CD1' HD23 ' A' ' 98' ' ' LEU . 6.6 m-85 -128.68 141.69 51.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' PHE . 11.7 mmp_? -35.62 -48.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.17 179.02 29.05 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.5 mm? -51.33 -62.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.929 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.9 m -32.46 -42.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 5.9 mm-40 -75.71 -58.3 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.698 HD23 ' CD1' ' A' ' 92' ' ' PHE . 2.6 tm? -45.68 -41.78 10.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.679 HG13 ' HG ' ' A' ' 118' ' ' LEU . 48.6 t -71.39 -41.89 73.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -53.33 -33.03 51.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.532 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 22.6 t80 -73.01 -59.53 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.498 ' CB ' HD23 ' A' ' 118' ' ' LEU . 18.4 m-85 -56.29 -12.02 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.449 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 52.9 mt-30 -73.81 -22.09 59.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.617 ' HG2' ' ND2' ' A' ' 105' ' ' ASN . 4.9 pt20 -115.51 -6.62 12.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.617 ' ND2' ' HG2' ' A' ' 104' ' ' GLN . 0.2 OUTLIER -132.44 118.44 19.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.565 ' HA ' HG23 ' A' ' 117' ' ' THR . 1.4 t -50.84 147.41 4.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.463 HD12 HD13 ' A' ' 75' ' ' ILE . 1.8 mm? -70.2 -11.57 60.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.3 pttt -42.14 -40.07 2.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -48.39 -48.3 36.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.46 ' SG ' HD11 ' A' ' 86' ' ' ILE . 3.6 m -84.75 -40.21 17.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 114' ' ' LEU . 95.5 m-85 -134.37 84.28 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -37.72 -64.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.5 t -39.74 -34.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 111' ' ' PHE . 6.3 tp -100.44 92.11 5.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.26 78.86 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.579 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 11.3 t -136.39 179.04 6.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.565 HG23 ' HA ' ' A' ' 106' ' ' SER . 2.9 p -145.92 149.55 34.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.816 HD12 ' CD2' ' A' ' 50' ' ' PHE . 2.5 mm? -63.83 87.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.44 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 15.7 mt-30 -69.17 -74.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.428 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -140.95 153.74 67.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.661 0.743 . . . . 0.0 110.882 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.8 Cg_endo -69.73 162.9 40.28 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.346 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.801 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 14.2 p90 -74.15 -35.08 64.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.608 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 7.7 mtmm -71.81 -23.36 61.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.466 ' HA ' HD13 ' A' ' 27' ' ' LEU . 1.9 tm-20 -32.87 131.76 0.33 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.667 0.746 . . . . 0.0 110.888 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.577 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 83.4 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.805 0.336 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.424 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 47.2 t -57.29 -37.17 72.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.6 m -52.97 -31.54 17.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.636 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 19.9 m-70 -64.33 159.05 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 124' ' ' GLU . 78.7 mt -85.06 -34.37 22.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.636 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.6 p-90 -82.58 20.59 1.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.499 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 7.7 t80 -113.79 97.01 6.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.67 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -104.98 34.95 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.081 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 36.84 -154.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 91.85 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.361 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.47 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 24.9 ttp -112.43 145.32 40.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 35' ' ' ARG . 51.2 mt-10 -77.6 136.23 38.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 39.9 ttp180 -36.37 -53.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.67 -52.8 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -48.29 -56.06 9.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.535 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.56 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -56.22 -38.64 71.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.758 0.314 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.912 ' HA ' HG21 ' A' ' 72' ' ' VAL . 43.8 mt-10 -69.67 -24.46 63.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.9 t -95.94 -22.76 17.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.47 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 19.4 mt -77.88 -55.48 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.515 HD13 ' HA ' ' A' ' 66' ' ' ILE . 22.2 mt -75.29 -10.41 59.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -52.52 -47.12 66.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -88.21 -31.56 19.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.4 mmp_? -49.64 173.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.3 137.77 32.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -39.41 125.14 1.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.457 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 114.81 -20.52 14.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.429 ' CG2' ' HA ' ' A' ' 122' ' ' PHE . 12.3 m -65.02 101.34 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 111.166 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.675 ' HB2' HG22 ' A' ' 66' ' ' ILE . 24.0 p90 -91.9 153.31 19.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.583 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -150.26 125.91 10.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.9 HG22 HG12 ' A' ' 64' ' ' ILE . 10.1 t -96.61 126.7 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.439 ' CZ ' ' HA ' ' A' ' 35' ' ' ARG . 35.8 ptt85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.836 ' HB3' HD12 ' A' ' 77' ' ' ILE . 58.3 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.45 129.6 8.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.04 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.9 HG12 HG22 ' A' ' 52' ' ' VAL . 54.7 mt -97.58 112.43 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 22.8 m -109.92 123.79 50.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.675 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -132.26 165.49 31.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -91.48 114.89 27.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.484 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 14.0 t80 -145.53 143.0 29.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.91 ' O ' HG22 ' A' ' 70' ' ' VAL . 3.7 t-20 50.89 33.92 9.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.91 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.25 24.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 5.2 pt-20 -143.92 144.79 31.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.912 HG21 ' HA ' ' A' ' 39' ' ' GLU . 86.8 t -85.02 96.63 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.489 ' HB3' HD22 ' A' ' 114' ' ' LEU . 25.9 mmtt -82.88 145.04 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -113.8 150.02 34.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.619 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.853 ' CG2' HD13 ' A' ' 86' ' ' ILE . 9.5 mm -126.06 95.88 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -50.52 124.2 10.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.836 HD12 ' HB3' ' A' ' 62' ' ' PHE . 66.4 mt -101.5 124.08 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.8 mtm -104.47 140.99 37.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 p -115.77 130.11 56.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.4 121.54 11.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.06 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 64.75 25.08 12.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.23 -10.48 74.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.488 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 5.5 mt -84.38 150.67 25.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.505 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 46.2 m-85 -112.23 125.26 53.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.808 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 10.5 ptt180 -162.22 134.22 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.853 HD13 ' CG2' ' A' ' 75' ' ' ILE . 3.8 pt -75.39 -19.76 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.413 ' N ' HG13 ' A' ' 86' ' ' ILE . 7.4 t -136.87 147.66 46.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -76.94 43.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -113.05 -36.77 4.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.496 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 20.8 tptt -151.38 125.9 9.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.808 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -109.9 152.14 26.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.546 ' CD1' HD23 ' A' ' 98' ' ' LEU . 4.5 m-85 -132.85 157.4 45.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -50.91 -44.27 60.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -155.71 178.44 32.29 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.505 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.0 mm? -50.69 -64.58 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.887 0.375 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.4 m -32.01 -44.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -75.54 -61.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.725 HD13 ' C ' ' A' ' 98' ' ' LEU . 2.3 tm? -43.35 -41.87 4.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.851 HG13 ' HG ' ' A' ' 118' ' ' LEU . 52.1 t -70.44 -40.84 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -51.72 -36.96 48.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.553 ' CD2' ' ND2' ' A' ' 105' ' ' ASN . 30.1 t80 -69.8 -57.77 4.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.587 ' CE2' HD11 ' A' ' 98' ' ' LEU . 16.3 m-85 -55.19 -17.82 4.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.515 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 75.5 mt-30 -72.31 -14.61 61.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -118.35 -9.07 10.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.553 ' ND2' ' CD2' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -132.73 137.92 47.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.488 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 8.2 t -59.61 142.52 52.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.485 HD22 HG21 ' A' ' 75' ' ' ILE . 1.9 mt -70.55 -10.9 60.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.0 pttp -41.28 -33.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -40.9 -40.93 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 9.0 t -103.6 -30.8 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.643 ' HE2' HG23 ' A' ' 75' ' ' ILE . 76.8 m-85 -128.98 74.47 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' PHE . 17.7 tptt -36.66 -56.17 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.3 t -49.68 -38.22 31.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 73' ' ' LYS . 16.7 tp -95.53 97.75 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -103.07 71.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.484 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 13.9 t -125.61 176.44 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.488 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 17.7 p -145.06 153.54 41.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.851 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.6 mm? -63.47 102.44 0.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.457 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 10.6 mt-30 -83.63 -73.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.445 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -142.87 153.85 61.45 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.64 0.733 . . . . 0.0 110.906 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.6 Cg_endo -69.77 164.32 34.98 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.67 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 9.2 p90 -77.8 -32.82 52.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.612 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 12.8 mtmt -74.1 -20.75 60.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.457 ' HA ' HD13 ' A' ' 27' ' ' LEU . 2.6 tt0 -34.26 128.27 0.46 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.651 0.738 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.578 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 28.8 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 m -57.99 -36.8 73.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.1 m -56.38 -16.64 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.578 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 31.9 m-70 -82.49 160.18 22.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 124' ' ' GLU . 82.0 mt -87.95 -35.13 17.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.511 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.2 p-90 -82.31 19.51 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 23' ' ' LEU . 18.3 t80 -112.82 96.02 5.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.642 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -100.95 35.62 2.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 36.46 -153.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 90.67 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.449 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 32.0 ttp -119.49 134.22 55.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -66.12 172.84 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 28.8 ttp180 -64.78 -57.31 9.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.26 -54.4 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -46.63 -59.98 5.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.621 ' HB1' HD21 ' A' ' 51' ' ' LEU . . . -57.25 -37.4 72.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.335 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 40.1 mt-10 -68.94 -26.33 65.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 t -93.46 -25.8 17.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.449 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 24.9 mt -73.48 -54.03 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.59 HD12 HG13 ' A' ' 72' ' ' VAL . 19.5 mt -75.43 -15.63 60.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -48.53 -48.38 38.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -86.19 -31.88 21.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.434 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 5.1 mmp_? -46.3 173.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.1 m -94.74 132.32 39.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 46' ' ' SER . 50.7 m-20 -34.39 121.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.466 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 117.29 -20.29 11.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.441 ' O ' HD22 ' A' ' 42' ' ' LEU . 5.9 m -64.94 110.26 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 111.121 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.656 ' CD2' HD12 ' A' ' 118' ' ' LEU . 29.2 p90 -99.07 151.49 20.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.621 HD21 ' HB1' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -149.82 130.11 13.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.513 HG22 HG12 ' A' ' 64' ' ' ILE . 21.1 t -94.92 122.41 46.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.2 ptt85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.936 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.517 ' HB3' HD12 ' A' ' 77' ' ' ILE . 72.3 m-85 . . . . . 0 CA--C 1.526 0.048 0 CA-C-O 120.927 0.394 . . . . 0.0 110.825 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.95 130.45 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.635 HG21 HD11 ' A' ' 118' ' ' LEU . 8.7 mt -97.54 105.6 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 9.3 t -110.25 130.21 55.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.663 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -134.78 168.61 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.159 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -91.38 113.49 25.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.564 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 17.4 t80 -143.77 145.84 32.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.835 ' O ' HG22 ' A' ' 70' ' ' VAL . 4.6 t-20 51.3 32.75 8.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.835 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 64.44 25.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -143.42 138.6 29.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.59 HG13 HD12 ' A' ' 42' ' ' LEU . 61.3 t -79.84 97.32 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 65' ' ' SER . 16.1 mmtt -82.84 150.14 26.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.574 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 34.4 m-70 -115.08 143.7 44.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.582 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.7 HD11 HD23 ' A' ' 114' ' ' LEU . 28.9 mm -122.68 95.56 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.42 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 1.2 pttm -55.92 138.26 48.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.517 HD12 ' HB3' ' A' ' 62' ' ' PHE . 80.0 mt -116.63 137.83 49.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 28.4 mtm -114.68 139.96 49.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.408 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.1 p -112.07 135.07 53.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -155.15 128.49 8.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 65.2 25.06 12.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.57 14.94 77.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mt -109.84 167.94 9.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.408 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 77.7 m-85 -127.93 120.03 26.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.878 ' NE ' ' HB2' ' A' ' 91' ' ' ALA . 15.5 ptt180 -162.0 138.02 7.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.803 HD11 ' SG ' ' A' ' 110' ' ' CYS . 7.1 pt -77.1 -21.45 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.408 ' O ' ' HD2' ' A' ' 85' ' ' ARG . 5.1 t -133.03 148.09 52.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -79.89 43.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -108.73 -40.25 5.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.601 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 2.4 tmtm? -155.78 113.22 3.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.878 ' HB2' ' NE ' ' A' ' 85' ' ' ARG . . . -95.07 154.99 16.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.103 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.601 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 4.6 m-85 -129.75 145.95 51.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -41.62 -45.36 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.99 177.2 30.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.6 mm? -50.72 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.0 m -32.62 -40.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 31.1 mm-40 -76.87 -58.94 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.628 HD13 ' C ' ' A' ' 98' ' ' LEU . 1.9 tm? -47.23 -35.68 7.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.83 HG13 ' HG ' ' A' ' 118' ' ' LEU . 58.7 t -76.26 -38.57 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -53.26 -37.73 62.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.687 ' CD2' ' ND2' ' A' ' 105' ' ' ASN . 31.0 t80 -67.46 -58.88 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.512 ' CB ' HD23 ' A' ' 118' ' ' LEU . 19.2 m-85 -55.63 -19.81 11.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.514 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 55.8 mt-30 -70.32 -15.37 62.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -116.7 -11.76 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.687 ' ND2' ' CD2' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -133.14 138.2 46.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.478 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 34.9 m -64.99 138.4 58.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.02 -5.1 5.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 32.7 pttt -41.26 -45.74 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 24.6 m-20 -42.13 -47.9 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.803 ' SG ' HD11 ' A' ' 86' ' ' ILE . 4.9 m -83.31 -34.03 25.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.457 ' HE2' HG23 ' A' ' 75' ' ' ILE . 72.2 m-85 -134.95 82.59 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -43.02 -34.37 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.5 t -69.32 -36.31 76.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.7 HD23 HD11 ' A' ' 75' ' ' ILE . 28.5 tp -101.72 96.46 7.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -102.27 74.5 1.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.564 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 12.7 t -133.12 -179.78 5.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.478 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 16.7 p -143.83 161.12 39.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.83 ' HG ' HG13 ' A' ' 99' ' ' VAL . 1.9 mm? -70.6 92.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.466 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.9 mt-30 -71.05 -74.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -142.15 153.58 63.53 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.629 0.728 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.4 Cg_endo -69.79 160.96 47.76 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.264 . . . . 0.0 112.339 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.642 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 8.4 p90 -74.28 -35.66 63.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.593 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 23.6 mttm -69.5 -24.99 63.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.6 tm-20 -32.72 132.63 0.31 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.613 0.72 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.168 0 C-N-CA 122.659 2.239 . . . . 0.0 112.369 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.554 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 70.3 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.804 0.335 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.3 t -61.43 -36.06 79.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.0 m -54.01 -24.59 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.554 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 34.5 m-70 -72.58 163.67 27.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.4 mt -90.86 -31.79 16.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.525 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.5 p-90 -85.15 18.16 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 23' ' ' LEU . 9.8 t80 -110.74 96.46 6.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.694 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -103.21 27.29 7.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.406 ' HA3' ' HD2' ' A' ' 32' ' ' PRO . . . 42.47 -149.95 0.4 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.406 ' HD2' ' HA3' ' A' ' 31' ' ' GLY . 53.6 Cg_endo -69.76 98.46 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.737 2.291 . . . . 0.0 112.32 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.527 ' HE3' ' CB ' ' A' ' 30' ' ' ALA . 11.3 ttm -124.82 135.67 53.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -71.74 155.01 40.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.566 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 53.4 ttt180 -48.47 -44.28 35.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.25 -63.75 1.02 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.39 -55.78 2.48 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.448 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -55.7 -42.51 75.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.865 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 20.0 mt-10 -69.07 -24.71 64.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.2 t -93.91 -21.11 19.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 65.6 mt -84.31 -58.1 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.593 ' HG ' HD23 ' A' ' 51' ' ' LEU . 41.5 mt -73.82 -13.83 61.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.865 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -46.18 -59.9 2.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.072 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -76.62 -34.35 58.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.454 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 16.5 mmt180 -42.6 161.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -82.69 135.23 35.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -38.13 119.15 0.76 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.45 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 120.76 -20.06 8.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.442 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.424 HG21 ' HD2' ' A' ' 45' ' ' ARG . 15.3 m -65.1 100.16 0.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.801 0.334 . . . . 0.0 111.117 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.698 ' CD2' HD12 ' A' ' 118' ' ' LEU . 24.2 p90 -89.4 152.94 21.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.826 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -149.53 124.94 10.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.936 HG22 HG12 ' A' ' 64' ' ' ILE . 5.4 t -95.23 124.57 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.524 ' HD3' HD11 ' A' ' 51' ' ' LEU . 36.4 ptt85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.553 ' HB3' HD12 ' A' ' 77' ' ' ILE . 45.3 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.883 0.373 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.78 130.47 7.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.936 HG12 HG22 ' A' ' 52' ' ' VAL . 46.3 mt -101.99 118.74 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.433 ' O ' HD11 ' A' ' 42' ' ' LEU . 27.1 m -120.34 131.51 54.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.677 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -134.39 163.33 37.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.464 ' CE ' ' HA ' ' A' ' 70' ' ' VAL . 24.5 tptt -84.61 115.27 22.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.572 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 14.0 t80 -144.93 139.99 27.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.896 ' O ' HG22 ' A' ' 70' ' ' VAL . 17.3 t30 51.63 32.0 8.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.896 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.08 25.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.4 pt-20 -141.55 132.05 25.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.861 HG21 ' HA ' ' A' ' 39' ' ' GLU . 58.0 t -76.26 99.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -83.45 156.88 22.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.566 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 42.2 m-70 -121.56 144.42 48.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.568 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 64' ' ' ILE . 3.6 mm -123.37 100.22 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.1 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -57.75 125.16 21.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.834 HD11 HG13 ' A' ' 64' ' ' ILE . 80.5 mt -104.14 125.0 58.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 13.4 mtm -103.6 140.87 36.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.2 p -117.34 134.23 55.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.25 118.12 9.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 66.26 25.01 10.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.98 -13.43 67.71 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.476 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 8.8 mt -78.8 155.47 29.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.544 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 77.4 m-85 -117.52 122.32 43.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.708 ' CZ ' ' HB2' ' A' ' 91' ' ' ALA . 15.2 ptt180 -161.88 131.47 4.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.853 HD11 ' SG ' ' A' ' 110' ' ' CYS . 21.1 pt -70.68 -19.63 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.8 t -140.06 153.41 46.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -79.64 45.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -112.66 -40.09 4.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.504 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 32.0 tptt -149.44 120.6 7.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.708 ' HB2' ' CZ ' ' A' ' 85' ' ' ARG . . . -105.05 148.55 26.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.552 ' CD1' HD23 ' A' ' 98' ' ' LEU . 10.2 m-85 -129.78 158.93 38.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -53.7 -44.37 69.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.39 177.96 31.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.544 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 1.8 mm? -53.56 -55.53 24.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.6 m -32.7 -46.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -75.59 -62.0 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.552 HD23 ' CD1' ' A' ' 92' ' ' PHE . 1.8 tm? -39.19 -47.72 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.893 HG13 ' HG ' ' A' ' 118' ' ' LEU . 61.9 t -68.75 -45.18 81.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -53.1 -42.75 66.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 104' ' ' GLN . 29.6 t80 -64.57 -45.64 86.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.617 ' HB3' HD21 ' A' ' 107' ' ' LEU . 9.5 m-85 -66.77 -23.28 66.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.495 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 21.4 mt-30 -65.59 -11.97 48.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.551 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 4.5 pt20 -117.01 -18.3 10.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.551 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 19.5 m-80 -120.21 142.23 49.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.0 t -67.94 136.98 54.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.617 HD21 ' HB3' ' A' ' 102' ' ' TYR . 1.2 mm? -68.34 -11.57 59.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 51.9 pttt -43.12 -44.58 5.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 1.0 OUTLIER -37.45 -48.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.853 ' SG ' HD11 ' A' ' 86' ' ' ILE . 3.6 m -84.25 -34.26 23.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -134.94 84.48 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.77 -39.67 5.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.6 m -64.57 -31.62 72.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.4 ' CD2' HD11 ' A' ' 75' ' ' ILE . 13.8 tp -103.42 96.11 6.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.72 73.7 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.572 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 10.4 t -134.6 170.62 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.8 p -136.41 166.18 24.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.893 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.7 mm? -75.85 86.45 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.45 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.3 mt-30 -66.89 -73.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.459 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 1.0 OUTLIER -142.94 155.19 62.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.74 . . . . 0.0 110.893 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 52.9 Cg_endo -69.82 168.86 20.42 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.638 2.225 . . . . 0.0 112.349 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.694 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 11.4 p90 -81.09 -35.57 31.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.623 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 15.3 mtmt -71.35 -21.42 62.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.8 tt0 -33.56 128.56 0.41 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.153 0 C-N-CA 122.696 2.264 . . . . 0.0 112.314 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 83.2 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.81 0.338 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 t -62.38 -35.19 78.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -55.4 -22.67 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.479 ' CE1' ' HA ' ' A' ' 23' ' ' LEU . 19.0 m170 -74.69 158.61 33.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.5 mt -87.32 -30.65 20.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.423 ' CH2' ' ND1' ' A' ' 26' ' ' HIS . 5.2 p-90 -85.4 18.17 2.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.493 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 14.2 t80 -111.15 94.67 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.818 ' HB2' ' CE1' ' A' ' 122' ' ' PHE . . . -101.47 36.68 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 33.79 -151.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.553 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 92.94 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.735 2.29 . . . . 0.0 112.338 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.4 ttp -118.25 135.57 54.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.9 162.29 26.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.46 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 24.9 ttp180 -58.25 -54.37 47.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.63 -46.15 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.77 -63.97 4.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.542 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.51 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -48.72 -34.1 11.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 111.144 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.803 ' HA ' HG21 ' A' ' 72' ' ' VAL . 15.3 mt-10 -77.49 -25.48 50.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.8 t -90.67 -21.37 21.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.823 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.421 ' O ' ' HG2' ' A' ' 45' ' ' ARG . 25.3 mt -84.06 -61.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.79 HD11 HD23 ' A' ' 51' ' ' LEU . 15.4 mt -76.2 0.96 17.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -36.23 -71.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -116.13 19.92 14.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.46 ' HB2' ' HA ' ' A' ' 42' ' ' LEU . 4.6 mmt180 -54.25 -77.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -177.64 114.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.8 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' SER . 4.8 p-10 -35.05 107.5 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.469 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 120.58 -11.75 10.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.517 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.545 ' CG2' HD22 ' A' ' 42' ' ' LEU . 6.4 m -64.96 99.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 111.106 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.591 ' CD2' HD12 ' A' ' 118' ' ' LEU . 20.3 p90 -91.49 148.84 22.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.79 HD23 HD11 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -150.55 131.24 14.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.689 HG22 HG12 ' A' ' 64' ' ' ILE . 3.4 t -98.59 140.23 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 9.1 ptt-85 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.683 ' HB3' HD12 ' A' ' 77' ' ' ILE . 87.1 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.459 ' O ' ' NH1' ' A' ' 53' ' ' ARG . . . -149.89 127.92 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.689 HG12 HG22 ' A' ' 52' ' ' VAL . 15.5 mt -99.76 112.43 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 2.4 t -114.17 129.74 56.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.786 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.812 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -133.21 160.33 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.14 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.471 ' HE3' ' C ' ' A' ' 70' ' ' VAL . 27.1 tptt -86.93 115.27 24.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.43 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 23.4 t80 -145.1 144.8 31.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.875 ' O ' HG22 ' A' ' 70' ' ' VAL . 5.5 t30 51.61 31.36 7.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 66.06 25.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.448 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 3.8 pt-20 -144.35 130.12 19.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.803 HG21 ' HA ' ' A' ' 39' ' ' GLU . 89.2 t -74.73 98.66 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -82.84 150.83 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.517 ' ND1' ' NH2' ' A' ' 53' ' ' ARG . 55.4 m-70 -114.79 146.48 40.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.459 HG21 HD13 ' A' ' 86' ' ' ILE . 3.2 mm -124.54 112.52 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.141 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -70.99 123.96 23.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.683 HD12 ' HB3' ' A' ' 62' ' ' PHE . 71.2 mt -99.26 126.04 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.3 mtm -103.69 139.31 39.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.474 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.2 p -114.85 130.64 56.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.122 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -147.64 122.32 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 64.35 25.25 13.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.49 -11.22 70.66 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.645 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 4.8 mt -87.37 145.87 26.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.792 0.329 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.474 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 34.7 m-85 -110.18 129.92 55.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.791 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 4.4 ptt180 -162.2 129.89 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.459 HD13 HG21 ' A' ' 75' ' ' ILE . 4.7 pt -71.25 -17.59 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.7 t -140.59 152.56 45.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -78.61 45.41 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.84 -43.32 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 25.5 tptt -153.66 127.48 8.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.791 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -105.64 154.41 20.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.081 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 101' ' ' PHE . 7.2 m-85 -134.58 153.39 51.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -47.6 -47.33 28.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.35 -177.93 23.06 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.523 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.3 mm? -57.47 -58.36 8.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.4 m -33.16 -47.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -72.4 -58.1 3.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.963 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.5 tm? -43.63 -54.5 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.842 HG13 ' HG ' ' A' ' 118' ' ' LEU . 59.1 t -60.0 -45.1 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 103' ' ' GLN . 3.9 mt-10 -51.61 -42.69 62.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.487 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 38.0 t80 -65.52 -49.34 69.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.963 ' CE2' HD21 ' A' ' 98' ' ' LEU . 12.6 m-85 -63.26 -21.06 66.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.5 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 21.1 mt-30 -69.57 -9.21 53.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.48 ' CG ' ' O ' ' A' ' 101' ' ' PHE . 1.5 pt20 -119.04 -16.99 9.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.668 ' O ' HG22 ' A' ' 117' ' ' THR . 10.0 m120 -123.07 146.0 48.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.612 ' HA ' HG23 ' A' ' 117' ' ' THR . 3.4 m -65.91 144.7 56.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.552 HD21 ' HB3' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -76.31 -11.98 60.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.927 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -41.73 -35.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -40.03 -42.15 1.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.0 t -94.95 -30.63 14.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' LEU . 93.2 m-85 -134.94 80.94 1.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 113' ' ' SER . 1.2 pmtp? -41.26 -34.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.437 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 41.5 t -68.0 -39.02 83.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 111' ' ' PHE . 26.4 tp -96.36 96.96 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.963 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.85 69.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.43 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 10.2 t -125.58 -174.73 3.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.158 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 105' ' ' ASN . 2.8 p -153.05 158.88 42.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.842 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.3 mm? -66.19 99.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.469 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.8 mt-30 -80.48 -71.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.454 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -141.25 153.88 66.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 110.904 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.5 Cg_endo -69.79 177.7 5.34 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.721 2.281 . . . . 0.0 112.367 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.818 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 5.1 p90 -92.2 -40.03 11.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.606 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 25.8 mttt -65.68 -21.8 66.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.1 tt0 -32.76 128.6 0.36 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.157 0 C-N-CA 122.698 2.266 . . . . 0.0 112.394 179.954 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.513 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 46.8 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.797 0.332 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.7 p -58.93 -36.03 74.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.6 m -55.31 -20.3 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.781 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 29.7 m-70 -75.49 159.42 31.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' A' ' 124' ' ' GLU . 41.2 mt -87.45 -32.59 19.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.781 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.0 p-90 -82.06 11.8 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.408 ' HH ' ' HE2' ' A' ' 62' ' ' PHE . 12.7 t80 -107.8 94.76 5.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.754 ' HB2' ' CE1' ' A' ' 122' ' ' PHE . . . -94.49 30.52 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.071 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.31 -147.4 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 81.37 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.49 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 24.9 ttp -111.17 136.18 50.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -75.81 141.93 42.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -39.15 -54.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.37 -51.33 6.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.02 -45.91 56.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.748 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -65.49 -36.05 82.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.728 0.299 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.659 ' HA ' HG21 ' A' ' 72' ' ' VAL . 19.5 mt-10 -72.89 -23.62 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.4 t -95.7 -24.4 16.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.49 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 23.5 mt -76.33 -55.56 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.529 HD21 ' HB3' ' A' ' 51' ' ' LEU . 21.9 mt -70.56 -16.83 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.44 -53.23 11.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 45' ' ' ARG . 57.9 m-80 -81.95 -32.82 30.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.467 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 17.2 mmp_? -46.01 172.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -95.13 135.12 37.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' SER . 66.3 m-20 -35.77 124.48 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.47 ' CA ' ' HG3' ' A' ' 119' ' ' GLN . . . 113.21 -20.34 19.17 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.481 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.6 m -64.94 102.07 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.343 . . . . 0.0 111.133 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.82 ' CD2' HD12 ' A' ' 118' ' ' LEU . 23.0 p90 -90.99 152.97 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.831 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -150.15 130.2 13.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.868 HG22 HG12 ' A' ' 64' ' ' ILE . 22.4 t -96.16 130.9 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.427 ' HB3' HD12 ' A' ' 77' ' ' ILE . 34.7 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.92 0.391 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.18 151.39 29.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.868 HG12 HG22 ' A' ' 52' ' ' VAL . 14.1 mt -121.15 106.54 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 46.5 m -104.67 129.82 52.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.67 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -134.04 164.09 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.415 ' HE2' ' HA ' ' A' ' 70' ' ' VAL . 16.9 tptm -87.61 114.56 24.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.491 ' CD2' ' OG1' ' A' ' 116' ' ' THR . 15.3 t80 -145.25 143.64 30.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.926 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER 51.32 32.65 8.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.926 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.25 25.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.8 pt-20 -143.83 143.2 31.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.659 HG21 ' HA ' ' A' ' 39' ' ' GLU . 98.1 t -82.9 97.33 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 65' ' ' SER . 28.4 mmtt -82.9 144.8 29.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -107.11 148.45 28.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.615 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.422 HG22 HG21 ' A' ' 86' ' ' ILE . 4.7 mm -126.91 101.95 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.161 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -63.35 122.67 16.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.618 HD11 HG13 ' A' ' 64' ' ' ILE . 86.3 mt -99.85 123.5 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.1 mtm -99.85 141.43 32.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 p -118.83 132.34 56.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.108 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.06 122.91 11.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.08 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 64.2 25.08 13.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.54 -10.71 73.74 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.62 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 6.4 mt -82.81 153.26 25.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.592 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 33.1 m-85 -115.51 124.39 50.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.727 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 30.9 ptt85 -161.87 130.73 4.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.5 HG22 HG12 ' A' ' 77' ' ' ILE . 6.0 pt -72.63 -17.53 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.504 HG21 ' OD2' ' A' ' 109' ' ' ASP . 5.2 t -141.43 154.87 45.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -81.32 49.03 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -112.87 -40.52 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.457 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 24.9 tptt -158.01 119.76 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.727 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -100.37 151.69 21.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.457 ' CZ ' ' HG2' ' A' ' 90' ' ' LYS . 3.9 m-85 -130.86 157.78 41.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -46.48 -46.67 19.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.19 -179.54 32.19 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.456 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.592 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.3 mm? -48.14 -60.66 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 95' ' ' LEU . 3.5 m -32.7 -55.49 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.415 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 57.9 mm-40 -64.33 -58.95 5.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.932 HD21 ' CE2' ' A' ' 102' ' ' TYR . 2.5 tm? -47.09 -62.91 1.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.485 ' N ' HD13 ' A' ' 98' ' ' LEU . 69.1 t -49.79 -42.14 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 103' ' ' GLN . 3.3 mt-10 -58.38 -34.38 70.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.55 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 39.0 t80 -71.76 -56.64 5.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.932 ' CE2' HD21 ' A' ' 98' ' ' LEU . 18.0 m-85 -55.87 -13.14 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.434 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 33.1 mt-30 -76.44 -17.5 59.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.601 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 4.5 pt20 -115.24 -9.24 12.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.601 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 0.1 OUTLIER -130.28 140.03 50.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.594 ' HA ' HG23 ' A' ' 117' ' ' THR . 16.7 m -56.68 150.98 14.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.709 HD23 ' HA ' ' A' ' 117' ' ' THR . 1.4 mm? -83.42 -15.7 48.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 110' ' ' CYS . 43.2 pttt -41.83 -36.95 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.504 ' OD2' HG21 ' A' ' 87' ' ' THR . 12.7 t0 -35.34 -33.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.466 ' N ' ' O ' ' A' ' 108' ' ' LYS . 12.9 t -108.41 -31.97 7.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 114' ' ' LEU . 92.8 m-85 -129.43 80.24 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 113' ' ' SER . 2.1 pptp? -42.35 -38.57 1.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.463 ' N ' ' HD2' ' A' ' 112' ' ' LYS . 22.5 t -64.71 -36.58 84.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 111' ' ' PHE . 32.8 tp -99.48 96.47 7.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -99.37 67.68 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.491 ' OG1' ' CD2' ' A' ' 68' ' ' TYR . 5.9 t -125.93 -179.77 4.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.709 ' HA ' HD23 ' A' ' 107' ' ' LEU . 2.8 p -144.34 175.12 10.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.82 HD12 ' CD2' ' A' ' 50' ' ' PHE . 2.9 mm? -83.73 98.2 9.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.47 ' HG3' ' CA ' ' A' ' 48' ' ' GLY . 5.9 mt-30 -77.24 -73.03 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.47 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -143.78 154.96 59.69 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.668 0.747 . . . . 0.0 110.899 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 54.2 Cg_endo -69.76 170.89 15.52 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.377 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.754 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 7.1 p90 -82.48 -41.76 19.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.592 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 17.1 mtmt -63.05 -25.64 68.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.479 ' HA ' HD13 ' A' ' 27' ' ' LEU . 2.0 tt0 -32.66 128.01 0.36 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.335 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.521 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 45.8 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.824 0.345 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.0 t -56.34 -37.2 69.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.4 m -53.82 -28.38 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.792 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 30.4 m-70 -68.31 161.59 27.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 124' ' ' GLU . 67.5 mt -89.28 -33.38 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.792 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 4.9 p-90 -81.82 19.07 1.14 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -114.92 95.59 5.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.722 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -94.73 39.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.111 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.08 -150.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 94.73 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.358 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.503 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 33.8 ttp -127.22 144.16 51.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -81.64 172.37 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.585 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 44.5 ttp180 -62.32 -57.95 9.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.75 -50.05 4.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -50.7 -56.94 11.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.48 -40.13 77.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.73 0.3 . . . . 0.0 111.071 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.707 ' HA ' HG21 ' A' ' 72' ' ' VAL . 21.0 mt-10 -66.78 -24.21 66.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.7 t -94.33 -24.18 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.503 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 40.5 mt -76.3 -52.37 17.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.63 HD12 HG13 ' A' ' 72' ' ' VAL . 20.2 mt -75.77 -11.02 59.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.6 -50.06 44.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -85.16 -31.27 23.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.528 ' HD2' HG21 ' A' ' 49' ' ' THR . 85.9 mmt-85 -46.81 172.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.1 m -96.21 137.07 35.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -37.9 123.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.463 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 113.87 -20.26 17.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.523 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.603 ' O ' HD22 ' A' ' 42' ' ' LEU . 20.4 m -65.26 99.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.848 0.356 . . . . 0.0 111.134 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.728 ' CD2' HD12 ' A' ' 118' ' ' LEU . 26.1 p90 -88.32 153.51 21.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.809 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -153.38 128.6 9.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.955 HG22 HG12 ' A' ' 64' ' ' ILE . 12.0 t -94.41 130.74 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.5 ptt85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.942 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.615 ' HB3' HD12 ' A' ' 77' ' ' ILE . 53.4 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.893 0.378 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.73 134.93 11.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.955 HG12 HG22 ' A' ' 52' ' ' VAL . 20.1 mt -105.5 111.74 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 24.9 m -108.83 131.91 54.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.676 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -134.73 169.1 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -92.28 115.76 28.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.583 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 10.5 t80 -144.65 142.3 30.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.896 ' O ' HG22 ' A' ' 70' ' ' VAL . 8.2 t-20 50.83 34.06 9.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.896 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 64.87 24.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.1 pt-20 -142.23 140.89 32.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.707 HG21 ' HA ' ' A' ' 39' ' ' GLU . 96.5 t -82.68 97.63 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 65' ' ' SER . 22.3 mmtt -83.16 152.41 25.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.585 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 50.6 m-70 -113.97 148.19 37.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.598 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.528 HG22 HG21 ' A' ' 86' ' ' ILE . 4.5 mm -122.5 101.84 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.113 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -62.9 123.32 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.615 HD12 ' HB3' ' A' ' 62' ' ' PHE . 81.5 mt -100.4 131.8 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.7 mtm -111.73 139.13 47.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.465 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.2 p -109.29 129.34 55.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.74 129.77 18.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 62.96 25.33 15.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.01 1.27 89.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.551 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . 7.8 mt -100.85 163.8 12.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.465 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 97.2 m-85 -115.41 127.02 55.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.758 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 8.6 ptt180 -163.48 125.64 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.548 HD11 ' SG ' ' A' ' 110' ' ' CYS . 11.7 pt -67.78 -21.03 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.456 ' CG2' ' SG ' ' A' ' 110' ' ' CYS . 6.4 t -132.19 147.37 52.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -77.91 44.84 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.85 -36.2 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.64 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -155.72 130.37 9.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.758 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -115.31 142.88 46.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.64 ' CZ ' ' HG2' ' A' ' 90' ' ' LYS . 1.2 m-85 -122.05 169.54 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.404 ' CD ' ' H ' ' A' ' 93' ' ' ARG . 2.1 mpt_? -59.19 -55.81 30.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.23 174.45 23.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.1 mm? -46.21 -55.58 6.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 95' ' ' LEU . 3.3 m -32.94 -47.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -75.95 -61.08 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.692 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.7 tm? -38.5 -46.71 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.815 HG13 ' HG ' ' A' ' 118' ' ' LEU . 31.3 t -70.09 -44.14 78.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 103' ' ' GLN . 3.1 mt-10 -52.13 -36.78 52.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.623 ' CD2' ' ND2' ' A' ' 105' ' ' ASN . 35.3 t80 -71.32 -57.6 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.72 ' HB3' HD21 ' A' ' 107' ' ' LEU . 19.8 m-85 -56.22 -12.89 1.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.509 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 20.5 mt-30 -76.39 -19.82 57.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 101' ' ' PHE . 1.4 pt20 -110.55 -15.98 13.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.623 ' ND2' ' CD2' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -123.63 129.4 51.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.718 ' HA ' HG23 ' A' ' 117' ' ' THR . 48.2 t -51.9 141.05 18.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.72 HD21 ' HB3' ' A' ' 102' ' ' TYR . 1.3 mm? -74.01 -14.74 61.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 18.5 pttp -42.29 -49.04 5.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.481 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 32.9 t0 -34.34 -42.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.548 ' SG ' HD11 ' A' ' 86' ' ' ILE . 3.8 m -90.05 -33.28 16.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 108' ' ' LYS . 83.0 m-85 -135.0 81.74 1.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -42.86 -37.13 1.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 81.1 p -67.2 -35.42 79.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 111' ' ' PHE . 15.3 tp -101.42 96.4 7.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.22 74.41 1.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.583 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 7.9 t -136.42 167.37 21.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.718 HG23 ' HA ' ' A' ' 106' ' ' SER . 0.8 OUTLIER -134.62 151.96 51.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.815 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.7 mm? -60.62 87.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.463 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 7.4 mt-30 -68.13 -73.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.441 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -143.7 155.18 59.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.657 0.741 . . . . 0.0 110.853 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.476 ' O ' HG23 ' A' ' 49' ' ' THR . 53.9 Cg_endo -69.75 174.6 9.26 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.313 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.722 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 9.3 p90 -90.86 -41.47 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.831 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 23.9 mttt -61.32 -24.88 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.4 tt0 -31.81 127.16 0.33 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.145 0 C-N-CA 122.738 2.292 . . . . 0.0 112.348 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -147.37 141.61 26.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 p -92.31 161.43 14.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.96 164.71 28.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -131.56 114.39 14.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.371 . . . . 0.0 110.837 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 t -153.06 140.32 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.19 153.59 5.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.77 142.92 26.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.321 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.08 174.17 6.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.082 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.5 177.42 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.2 136.97 32.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.065 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -119.5 89.91 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -140.86 109.44 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -74.44 96.34 2.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.569 ' CG ' ' O ' ' A' ' 15' ' ' TRP . 5.8 t-105 -115.02 0.34 13.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 16.6 t-105 -88.24 173.82 8.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 18' ' ' GLY . 15.0 pt-20 -79.04 43.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.33 144.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.62 18.51 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.0 Cg_endo -69.85 -170.28 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.466 ' NE2' HD21 ' A' ' 23' ' ' LEU . 4.6 pt20 -35.9 131.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.949 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.443 ' O ' HG13 ' A' ' 25' ' ' VAL . 3.8 m-20 -83.85 89.29 7.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.466 HD21 ' NE2' ' A' ' 21' ' ' GLN . 96.0 mt -49.62 -19.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.9 p -59.65 -32.58 70.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 22' ' ' ASP . 16.5 m -54.38 -21.94 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.611 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 24.7 m-70 -75.23 159.5 31.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 124' ' ' GLU . 72.5 mt -86.26 -32.01 21.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.611 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.1 p-90 -84.86 18.58 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -111.97 95.45 5.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.78 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -101.69 35.85 2.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 34.25 -151.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 88.55 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.362 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.509 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 29.2 ttp -112.54 140.04 47.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -78.18 149.1 33.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 36' ' ' ALA . 32.7 ttp180 -41.49 -61.37 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . -35.03 -58.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.67 -62.45 3.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.562 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -52.76 -33.91 50.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.708 0.289 . . . . 0.0 111.05 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.782 ' HA ' HG21 ' A' ' 72' ' ' VAL . 59.3 mt-10 -75.22 -27.09 59.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.7 t -94.37 -17.94 22.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.509 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 16.8 mt -81.36 -54.49 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.664 HD11 HD23 ' A' ' 51' ' ' LEU . 18.2 mt -78.14 -13.05 60.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -50.56 -47.7 57.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -87.15 -31.52 20.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.423 ' HD2' HG21 ' A' ' 49' ' ' THR . 17.9 mmt180 -48.22 177.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -98.07 137.1 37.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.793 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -37.44 127.82 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.447 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 111.75 -20.3 22.54 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.423 HG21 ' HD2' ' A' ' 45' ' ' ARG . 14.4 m -65.23 104.52 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 111.128 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.644 ' HB2' HG22 ' A' ' 66' ' ' ILE . 22.6 p90 -94.96 154.96 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.664 HD23 HD11 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -153.21 129.68 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.549 HG22 HG12 ' A' ' 64' ' ' ILE . 21.0 t -99.93 128.68 51.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.0 ptt85 -132.17 168.49 17.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.642 ' HG2' ' HB3' ' A' ' 60' ' ' ALA . 3.7 tt0 -109.16 177.56 4.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 56' ' ' VAL . 21.5 mmt180 -96.14 67.09 2.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.557 ' O ' HG12 ' A' ' 56' ' ' VAL . 22.1 t 33.67 47.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.584 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 23.8 mttp -160.67 159.82 30.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.02 131.23 44.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 38.51 39.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.642 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . . . -78.51 -177.07 5.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -57.32 102.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.551 ' HB3' HD12 ' A' ' 77' ' ' ILE . 60.3 m-85 -62.66 155.11 27.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.37 136.44 21.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.059 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.919 HG13 HD11 ' A' ' 77' ' ' ILE . 59.3 mt -103.99 124.06 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 9.3 t -127.81 131.67 49.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.663 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -137.47 168.87 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -88.47 112.71 23.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.593 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 20.0 t80 -144.23 144.17 31.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.823 ' O ' HG22 ' A' ' 70' ' ' VAL . 7.3 t-20 51.32 32.68 8.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 63.97 24.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 5.0 pt-20 -143.41 137.58 28.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.782 HG21 ' HA ' ' A' ' 39' ' ' GLU . 58.0 t -78.03 96.62 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 65' ' ' SER . 26.2 mmtt -82.84 157.66 23.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -133.28 148.02 51.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 109.565 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.579 HG23 ' CE2' ' A' ' 111' ' ' PHE . 15.9 mt -131.24 134.12 61.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.116 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -77.09 141.31 40.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.919 HD11 HG13 ' A' ' 64' ' ' ILE . 96.7 mt -112.87 115.59 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.4 mtm -93.91 139.52 30.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 p -116.96 132.25 56.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.85 123.43 12.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 64.31 25.01 13.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.01 -12.53 68.81 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.625 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 4.2 mt -83.3 154.45 24.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.807 0.337 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -116.02 127.97 55.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.76 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 3.3 ptt180 -162.1 132.03 4.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.47 HD13 HG21 ' A' ' 75' ' ' ILE . 6.1 pt -72.71 -22.35 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.407 HG23 ' HB2' ' A' ' 89' ' ' LYS . 7.9 t -134.4 151.35 51.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -77.78 46.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' HB2' HG23 ' A' ' 87' ' ' THR . 24.6 mmtt -108.51 -44.66 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.578 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.8 tmtt? -156.65 128.11 7.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.76 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -104.9 156.76 17.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.611 ' CE1' HD23 ' A' ' 98' ' ' LEU . 3.1 m-85 -133.46 163.58 29.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 37.5 mmt-85 -49.96 -49.22 51.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.475 ' N ' ' OE1' ' A' ' 97' ' ' GLU . . . -157.47 179.95 32.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.5 mm? -45.22 -62.56 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.1 m -34.84 -46.28 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 94' ' ' GLY . 25.4 mp0 -72.01 -57.15 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.611 HD23 ' CE1' ' A' ' 92' ' ' PHE . 1.7 tm? -47.97 -57.51 5.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.926 HG13 ' HG ' ' A' ' 118' ' ' LEU . 95.5 t -56.92 -49.53 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.423 ' HA ' ' CD ' ' A' ' 103' ' ' GLN . 4.4 mt-10 -51.24 -33.74 29.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.528 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 79.6 t80 -70.34 -51.79 27.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.552 ' CB ' HD23 ' A' ' 118' ' ' LEU . 10.2 m-85 -61.11 -25.29 66.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.423 ' CD ' ' HA ' ' A' ' 100' ' ' GLU . 74.9 mt-30 -56.02 -13.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -117.41 -22.82 8.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -119.25 131.62 55.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.477 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 4.6 t -59.17 154.84 15.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.451 HD12 HD13 ' A' ' 86' ' ' ILE . 1.7 mm? -79.3 -11.0 59.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -43.32 -33.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -45.05 -40.51 6.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.4 t -96.39 -33.64 11.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.579 ' CE2' HG23 ' A' ' 75' ' ' ILE . 99.1 m-85 -133.67 82.2 1.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -39.88 -32.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.444 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 14.4 t -69.07 -41.01 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 111' ' ' PHE . 10.9 tp -92.32 91.0 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.97 73.92 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.593 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 11.8 t -129.99 -178.84 4.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.477 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 6.8 p -149.01 145.75 27.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.926 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.6 mm? -59.37 100.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.447 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 12.8 mt-30 -85.45 -72.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -141.54 151.86 61.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.678 0.751 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.0 Cg_endo -69.81 162.97 40.04 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.65 2.233 . . . . 0.0 112.319 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.78 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 16.1 p90 -74.97 -37.74 61.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.598 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 13.8 mtmt -67.87 -23.97 65.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.463 ' HA ' HD13 ' A' ' 27' ' ' LEU . 1.8 tt0 -33.68 126.77 0.44 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 126' ' ' GLU . 54.2 Cg_endo -69.7 149.26 67.05 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 125' ' ' PRO . 2.0 tp10 -35.44 151.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 68.33 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 10.8 tpt85 -121.51 85.69 2.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 130' ' ' ILE . 3.0 t -129.63 116.69 19.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 129' ' ' THR . 66.8 mt -37.28 -46.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.5 t -130.51 138.5 50.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.32 161.93 23.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 55.8 p -92.38 154.84 18.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 177.16 71.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 102.81 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 38.1 p -72.34 141.39 48.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 54.7 p -71.34 -50.82 28.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.797 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -46.02 -55.95 6.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.3 m -60.9 110.99 1.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.07 164.39 12.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -84.18 -51.14 7.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 110.83 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.2 p 39.85 42.04 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.12 75.46 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.502 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -137.99 166.18 24.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.764 0.316 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.7 104.44 11.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.057 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -101.08 150.1 23.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -170.46 136.85 1.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -123.84 106.34 10.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -91.24 111.27 22.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.24 148.33 27.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.552 ' O ' ' CD2' ' A' ' 15' ' ' TRP . 7.6 p-90 -133.02 37.67 3.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 13.0 t-105 -98.15 134.9 40.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.91 -47.64 74.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.34 161.53 22.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 166.84 26.23 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.662 2.242 . . . . 0.0 112.328 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -172.06 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.28 . . . . 0.0 112.374 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -45.77 169.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -78.16 99.65 6.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.546 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 73.3 mt -98.59 -15.58 19.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.3 t -62.28 -36.89 83.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.7 m -53.11 -22.9 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.142 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.546 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 39.3 m-70 -75.81 158.9 31.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.571 HD13 ' HA ' ' A' ' 124' ' ' GLU . 76.6 mt -86.77 -32.17 20.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 8.1 p-90 -84.99 20.09 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 23' ' ' LEU . 13.4 t80 -112.62 97.76 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.744 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -104.69 33.24 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.91 -152.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 87.68 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.649 2.232 . . . . 0.0 112.358 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.419 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 31.6 ttp -111.83 145.63 39.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -74.09 168.53 19.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -63.76 -52.42 60.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.57 -46.07 38.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.61 -56.45 15.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.457 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.636 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -61.25 -38.22 85.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.72 0.295 . . . . 0.0 111.08 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.814 ' HA ' HG21 ' A' ' 72' ' ' VAL . 17.9 mt-10 -69.97 -24.32 63.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.7 m -95.48 -26.19 15.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.419 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 48.7 mt -73.87 -54.84 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.54 HD12 HG13 ' A' ' 72' ' ' VAL . 23.2 mt -74.07 -12.28 60.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -48.63 -52.87 20.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -82.77 -31.41 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.481 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 11.5 mmt-85 -46.61 170.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.3 m -94.62 136.12 35.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 46' ' ' SER . 38.6 t70 -35.67 126.85 0.66 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.457 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 110.57 -19.09 26.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.455 ' O ' HD22 ' A' ' 42' ' ' LEU . 12.3 m -65.26 102.0 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 111.168 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.821 ' CD2' HD12 ' A' ' 118' ' ' LEU . 23.5 p90 -91.22 153.99 19.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.822 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -151.49 127.22 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.939 HG22 HG12 ' A' ' 64' ' ' ILE . 18.9 t -98.35 133.37 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.433 ' HD3' HD11 ' A' ' 51' ' ' LEU . 39.4 ptt85 -138.85 168.94 18.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.658 ' NE2' ' CZ ' ' A' ' 62' ' ' PHE . 3.6 tt0 -110.26 176.44 5.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -103.39 62.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.733 ' O ' HG12 ' A' ' 56' ' ' VAL . 58.2 t 37.17 46.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.718 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 33.0 mmtt -151.33 136.87 17.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -53.99 114.65 1.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 53.52 41.44 32.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.718 ' HB2' ' CB ' ' A' ' 57' ' ' LYS . . . -74.62 177.54 6.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -60.63 84.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.664 ' HB3' HD12 ' A' ' 77' ' ' ILE . 73.6 m-85 -39.91 161.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.2 129.63 12.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.939 HG12 HG22 ' A' ' 52' ' ' VAL . 17.6 mt -99.78 133.06 44.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.1 m -137.0 125.86 24.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.689 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -128.68 164.8 29.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.447 ' HE3' ' C ' ' A' ' 70' ' ' VAL . 21.6 tptt -84.18 115.23 22.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.573 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 22.8 t80 -145.38 140.77 27.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.871 ' O ' HG22 ' A' ' 70' ' ' VAL . 15.5 t30 52.13 30.51 7.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.871 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 65.42 24.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -141.42 129.19 21.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.814 HG21 ' HA ' ' A' ' 39' ' ' GLU . 95.2 t -74.76 99.27 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.62 ' NZ ' HD13 ' A' ' 114' ' ' LEU . 6.8 mmtp -83.39 157.28 22.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -129.31 143.5 50.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.594 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.492 HG21 HD13 ' A' ' 86' ' ' ILE . 17.8 mt -129.2 128.96 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.11 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.437 ' O ' HG22 ' A' ' 86' ' ' ILE . 13.8 ttmm -75.28 138.02 41.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.691 HD11 HG13 ' A' ' 64' ' ' ILE . 91.3 mt -109.03 104.08 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 mtm -78.62 157.17 28.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 83' ' ' LEU . 2.2 p -132.22 143.4 49.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -158.72 126.03 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 63.86 24.96 13.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.51 18.98 62.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.537 ' O ' HG22 ' A' ' 79' ' ' THR . 6.3 mt -109.59 166.25 11.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -126.8 123.23 36.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.538 ' NE ' ' HB2' ' A' ' 91' ' ' ALA . 20.4 ptt180 -161.67 126.33 3.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.531 HG12 ' CE2' ' A' ' 102' ' ' TYR . 4.7 pt -63.98 -24.57 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.0 t -135.83 153.75 51.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.441 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 2.7 pm0 -79.22 43.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.404 ' HA ' ' CE ' ' A' ' 89' ' ' LYS . 2.4 mmpt? -104.18 -37.3 7.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.435 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 20.7 tptt -163.01 119.94 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.538 ' HB2' ' NE ' ' A' ' 85' ' ' ARG . . . -98.0 153.39 18.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' A' ' 101' ' ' PHE . 3.6 m-85 -131.84 160.41 35.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -53.91 -43.06 69.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.34 -178.44 27.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.502 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.481 HD11 HD13 ' A' ' 77' ' ' ILE . 1.5 mm? -56.85 -61.33 2.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.372 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.458 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.9 m -32.82 -42.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -77.9 -57.76 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.559 HD11 ' HE2' ' A' ' 102' ' ' TYR . 2.5 tm? -45.69 -50.56 13.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.831 HG13 ' HG ' ' A' ' 118' ' ' LEU . 45.4 t -61.46 -44.16 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -50.94 -44.72 60.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.509 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 33.8 t80 -62.31 -42.63 99.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.559 ' HE2' HD11 ' A' ' 98' ' ' LEU . 11.4 m-85 -69.92 -23.03 63.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.488 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 21.7 mt-30 -67.2 -9.52 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.504 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.6 pt20 -118.23 -18.79 9.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.504 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 15.6 m-80 -121.72 144.49 48.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.8 m -70.7 139.78 51.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.409 HD12 HD13 ' A' ' 75' ' ' ILE . 2.2 mm? -63.58 -11.16 22.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.936 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -42.26 -33.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -44.81 -41.03 6.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.9 t -95.57 -35.33 11.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 114' ' ' LEU . 86.1 m-85 -134.35 86.3 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.815 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -43.09 -44.45 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.3 p -57.98 -34.42 69.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.62 HD13 ' NZ ' ' A' ' 73' ' ' LYS . 16.1 tp -100.95 95.3 6.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.98 80.27 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.573 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 9.9 t -131.73 -179.39 5.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 27.2 p -147.87 153.32 38.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.831 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.2 mm? -66.81 89.57 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.457 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.5 mt-30 -70.88 -72.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.434 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 1.0 OUTLIER -142.79 154.38 62.41 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.638 0.732 . . . . 0.0 110.896 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 54.2 Cg_endo -69.76 167.03 25.6 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.385 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.744 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 15.1 p90 -80.75 -38.87 27.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.604 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 18.2 mttm -65.2 -26.12 68.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.571 ' HA ' HD13 ' A' ' 27' ' ' LEU . 2.5 tt0 -31.65 128.03 0.31 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.731 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 149.23 66.38 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.339 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -46.26 144.93 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.2 pttm -109.43 147.76 32.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -162.29 167.76 23.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 10.4 t -81.42 41.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 49.5 mm -104.03 123.05 57.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.5 t -60.1 105.47 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.407 ' HD2' ' C ' ' A' ' 132' ' ' ARG . 7.1 tmm_? -124.86 134.92 52.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.8 t -78.39 -61.66 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.05 -151.51 37.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 146.19 59.13 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.2 p -158.36 148.09 19.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 43.8 t -143.51 119.22 10.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 t 66.22 43.23 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 p -114.48 152.16 32.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.25 -141.26 12.54 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 m -67.44 154.47 41.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.362 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 p -64.6 -53.15 52.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.73 -133.2 10.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -150.71 168.57 23.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.0 171.75 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.093 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -84.91 170.23 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.09 173.78 6.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.07 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -44.39 113.21 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.402 ' CD ' ' O ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -98.86 41.33 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -92.55 113.84 26.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.549 ' O ' ' CD2' ' A' ' 15' ' ' TRP . 8.3 p-90 -112.75 37.62 3.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -94.3 161.85 14.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.95 38.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 148.09 156.12 6.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 135.89 31.5 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.38 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -178.17 2.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.345 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -68.56 143.76 54.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -83.56 113.33 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.575 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 97.5 mt -98.56 -28.78 13.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.538 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 11.2 t -58.59 -33.8 70.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.1 m -57.24 -19.16 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.635 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 27.8 m-70 -76.35 159.44 30.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.56 HD13 ' HA ' ' A' ' 124' ' ' GLU . 84.5 mt -84.47 -35.0 23.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.635 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 7.6 p-90 -81.92 19.19 1.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 24' ' ' SER . 22.2 t80 -114.23 94.81 4.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.933 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.796 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -98.27 36.16 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.136 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.32 -151.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.51 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 109.71 2.38 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.45 ' CE ' ' CD1' ' A' ' 41' ' ' ILE . 21.7 ttp -136.82 147.47 46.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -79.06 170.14 17.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ALA . 25.4 ttm180 -59.51 -62.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . -36.98 -58.06 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -42.48 -61.88 2.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.52 -45.92 56.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.738 0.304 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.575 ' HA ' HG11 ' A' ' 72' ' ' VAL . 21.8 mt-10 -66.35 -22.5 66.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.9 t -93.71 -19.6 20.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.948 HG22 HD13 ' A' ' 42' ' ' LEU . 45.9 mt -73.39 -59.27 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.981 HD21 HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -77.37 -2.48 35.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.85 -40.4 63.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -99.83 -26.51 14.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.472 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 27.0 mmm180 -52.95 171.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.77 141.41 28.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -40.44 122.05 1.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.429 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 117.95 -19.27 11.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 m -65.13 114.02 4.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 111.159 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.877 ' CD2' HD12 ' A' ' 118' ' ' LEU . 15.8 p90 -107.51 152.26 24.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.981 HD23 HD21 ' A' ' 42' ' ' LEU . 1.1 pp -152.92 130.76 11.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.822 HG22 HG12 ' A' ' 64' ' ' ILE . 21.9 t -97.61 145.32 9.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.1 ptt85 -147.46 164.3 33.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.738 ' NE2' ' CZ ' ' A' ' 62' ' ' PHE . 3.6 tt0 -100.03 165.34 11.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.782 ' O ' HG12 ' A' ' 56' ' ' VAL . 4.2 tpt85 -75.97 46.91 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.782 HG12 ' O ' ' A' ' 55' ' ' ARG . 5.2 p 50.29 25.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 22.6 mmtp -148.03 148.76 31.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 59' ' ' ALA . 8.2 m-20 -47.31 133.02 12.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.518 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . . . 34.19 46.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.601 ' HB1' ' HB3' ' A' ' 55' ' ' ARG . . . -88.45 151.8 22.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.067 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 60' ' ' ALA . 12.1 pt-20 -32.85 97.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.738 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 68.9 m-85 -58.38 166.53 1.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.95 136.3 12.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.822 HG12 HG22 ' A' ' 52' ' ' VAL . 21.1 mt -105.27 132.98 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.6 m -135.02 131.75 37.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.756 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -135.77 168.82 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 13.9 tptm -85.29 116.57 23.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.574 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 13.1 t80 -145.18 138.05 26.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.888 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER 51.5 31.71 7.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.888 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 65.94 25.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 68' ' ' TYR . 3.2 pt-20 -141.46 130.7 23.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.575 HG11 ' HA ' ' A' ' 39' ' ' GLU . 69.9 t -74.71 100.02 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -83.37 157.59 22.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.449 ' CE1' ' HG2' ' A' ' 39' ' ' GLU . 7.7 m-70 -131.15 143.56 50.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.575 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.508 HG21 HD12 ' A' ' 86' ' ' ILE . 35.4 mt -127.22 130.29 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.111 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.429 ' O ' HG22 ' A' ' 86' ' ' ILE . 24.8 ttpt -76.73 136.5 39.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.767 HD11 HG13 ' A' ' 64' ' ' ILE . 96.5 mt -112.49 122.48 66.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 mtm -98.32 156.88 16.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.6 p -130.07 141.43 50.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.172 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.44 ' O ' HD12 ' A' ' 83' ' ' LEU . . . -159.49 126.65 4.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 64.21 25.02 13.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.8 21.53 59.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.591 ' O ' HG22 ' A' ' 79' ' ' THR . 4.3 mt -112.56 169.35 8.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.49 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 46.3 m-85 -132.51 122.79 25.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.719 ' NE ' ' HB2' ' A' ' 91' ' ' ALA . 21.5 ptt180 -161.32 132.59 5.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.508 HD12 HG21 ' A' ' 75' ' ' ILE . 19.2 pt -71.68 -20.14 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.2 t -135.88 148.56 48.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.42 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 1.4 pm0 -78.01 46.46 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -112.49 -41.17 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -152.09 120.68 6.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.719 ' HB2' ' NE ' ' A' ' 85' ' ' ARG . . . -105.15 150.5 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.623 ' CE1' HD23 ' A' ' 98' ' ' LEU . 4.9 m-85 -127.79 158.08 38.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -49.1 -43.4 41.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.52 176.83 34.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.49 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.1 mm? -49.54 -57.56 6.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.458 ' C ' ' O ' ' A' ' 95' ' ' LEU . 5.5 m -33.17 -44.62 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.412 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 6.1 mm-40 -75.54 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.623 HD23 ' CE1' ' A' ' 92' ' ' PHE . 1.8 tm? -43.86 -50.31 7.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.82 HG13 ' HG ' ' A' ' 118' ' ' LEU . 55.5 t -65.62 -46.85 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -55.66 -34.08 64.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.41 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 53.7 t80 -69.19 -50.05 51.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.509 ' CB ' HD23 ' A' ' 118' ' ' LEU . 9.7 m-85 -62.47 -26.01 68.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.41 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 73.3 mt-30 -56.8 -14.05 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -115.23 -25.34 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.479 ' O ' HG22 ' A' ' 117' ' ' THR . 0.6 OUTLIER -116.8 140.01 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.692 ' HA ' HG23 ' A' ' 117' ' ' THR . 9.1 t -70.78 141.92 51.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.416 ' CD2' ' N ' ' A' ' 107' ' ' LEU . 1.5 mm? -65.49 -7.09 12.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.9 pttt -42.55 -42.39 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -43.59 -48.93 7.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.432 ' SG ' HD11 ' A' ' 86' ' ' ILE . 3.8 m -80.27 -38.38 31.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' A' ' 114' ' ' LEU . 83.3 m-85 -134.35 87.48 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -42.79 -30.77 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.433 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 47.7 t -72.87 -36.84 67.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 111' ' ' PHE . 6.2 tp -95.78 89.53 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -99.19 74.65 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.574 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 6.1 t -133.36 -177.85 4.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.692 HG23 ' HA ' ' A' ' 106' ' ' SER . 1.1 p -149.99 158.49 44.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.877 HD12 ' CD2' ' A' ' 50' ' ' PHE . 2.1 mm? -70.25 93.82 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.429 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.2 mt-30 -75.46 -72.05 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -141.54 149.63 54.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.667 0.746 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.9 Cg_endo -69.74 171.13 15.01 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.697 2.264 . . . . 0.0 112.369 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.796 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 11.7 p90 -87.95 -42.52 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.603 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 15.7 mttm -60.41 -24.86 65.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.56 ' HA ' HD13 ' A' ' 27' ' ' LEU . 3.2 tm-20 -33.0 133.72 0.3 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.627 0.727 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 126' ' ' GLU . 53.8 Cg_endo -69.77 150.28 67.92 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 125' ' ' PRO . 5.3 tt0 -36.99 153.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm -115.86 40.01 2.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -53.53 149.5 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 129' ' ' THR . 11.4 t -80.93 43.14 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 47.8 mt -99.08 -56.83 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.3 m -165.16 143.75 6.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 133' ' ' SER . 23.8 mmt85 -42.83 140.63 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 132' ' ' ARG . 3.6 t -37.81 -62.07 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.831 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 172.17 -178.26 44.44 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -17.7 37.12 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.668 2.245 . . . . 0.0 112.327 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 36.6 m -158.77 140.65 13.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 30.1 p -60.82 -48.6 81.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.1 p -157.77 130.2 7.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 110.895 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p -152.91 156.45 38.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.81 -175.9 19.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -173.22 137.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.3 p -118.88 136.5 54.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.72 115.76 0.64 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -167.8 147.17 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.79 99.16 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -140.88 163.64 32.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 56.28 28.51 13.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -60.71 110.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -50.37 151.52 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -148.5 150.48 33.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.568 ' CG ' ' O ' ' A' ' 15' ' ' TRP . 5.9 t-105 -113.32 0.26 14.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -88.83 142.47 27.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 18' ' ' GLY . 8.3 pt-20 -63.0 -40.59 98.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.444 ' N ' ' HG3' ' A' ' 17' ' ' GLU . . . 132.72 158.7 8.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 167.49 24.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.34 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -172.9 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.651 2.234 . . . . 0.0 112.383 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -42.63 127.64 3.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -99.54 107.92 20.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.562 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 94.9 mt -98.6 -23.79 15.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.403 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 48.2 t -58.61 -36.06 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.8 m -53.93 -31.97 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.67 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 22.6 m-70 -64.01 164.2 10.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' A' ' 124' ' ' GLU . 83.3 mt -89.72 -33.92 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.67 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.9 p-90 -82.53 19.41 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.55 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 12.2 t80 -115.24 94.48 4.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.716 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -92.17 26.39 2.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.99 -144.98 0.38 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 94.07 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.651 2.234 . . . . 0.0 112.327 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.496 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 33.6 ttp -128.8 140.16 51.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -80.35 167.62 20.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.438 ' HB3' ' NH1' ' A' ' 35' ' ' ARG . 17.3 ttp-105 -54.07 -56.65 16.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 37' ' ' GLY . . . -40.41 -65.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.06 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' ALA . . . -37.16 -51.91 1.64 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.59 99.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.741 0.305 . . . . 0.0 111.094 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.941 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 21.0 mt-10 -69.37 -22.96 63.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.5 t -95.48 -24.42 16.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.496 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 21.3 mt -79.26 -55.82 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.536 HD13 ' HA ' ' A' ' 66' ' ' ILE . 23.6 mt -75.88 -17.0 59.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.941 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -50.8 -47.18 59.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -86.54 -32.51 20.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.469 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 11.6 mmp_? -47.52 175.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.08 136.79 33.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -38.83 127.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.451 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 112.44 -20.99 20.19 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.0 m -65.21 107.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 111.183 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.799 ' CD2' HD12 ' A' ' 118' ' ' LEU . 20.5 p90 -97.25 153.1 18.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.809 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -151.21 128.22 11.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.805 HG22 HG12 ' A' ' 64' ' ' ILE . 24.3 t -94.83 121.68 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.438 HH21 ' CG ' ' A' ' 74' ' ' HIS . 21.6 ptt85 -122.84 161.63 23.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.59 ' CG ' ' HB3' ' A' ' 60' ' ' ALA . 35.6 tt0 -141.23 109.36 5.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.499 ' HB2' ' HB1' ' A' ' 60' ' ' ALA . 5.3 mpt_? -39.25 160.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.631 ' O ' HG23 ' A' ' 56' ' ' VAL . 31.0 m -88.29 60.13 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 9.2 mptt -142.76 167.52 21.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -41.09 118.89 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.481 ' O ' ' C ' ' A' ' 60' ' ' ALA . . . 35.59 37.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.59 ' HB3' ' CG ' ' A' ' 54' ' ' GLN . . . -30.12 123.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.99 101.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.605 ' HB3' HD12 ' A' ' 77' ' ' ILE . 42.3 m-85 -41.9 163.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.431 ' N ' HD12 ' A' ' 77' ' ' ILE . . . -157.51 136.66 11.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.049 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.805 HG12 HG22 ' A' ' 52' ' ' VAL . 13.1 mt -103.14 106.72 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -107.58 132.15 53.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.69 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -138.1 164.98 26.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.137 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.457 ' NZ ' ' O ' ' A' ' 43' ' ' ALA . 19.3 tptm -86.93 112.88 22.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -143.9 145.5 32.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.918 ' O ' HG22 ' A' ' 70' ' ' VAL . 19.7 t30 51.51 31.85 8.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.918 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.05 25.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.2 pt-20 -144.11 140.35 29.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.69 HG21 ' HA ' ' A' ' 39' ' ' GLU . 62.1 t -79.68 96.85 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -83.27 153.48 24.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.438 ' CG ' HH21 ' A' ' 53' ' ' ARG . 24.8 m-70 -119.03 143.76 46.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.617 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.413 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 3.7 mm -122.77 104.41 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -59.51 136.14 57.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.605 HD12 ' HB3' ' A' ' 62' ' ' PHE . 95.7 mt -112.52 127.04 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.9 mtm -104.73 139.45 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 p -116.98 138.3 51.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.184 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -154.99 129.97 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 62.39 25.05 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.27 9.88 83.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.8 mt -103.89 160.09 15.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.476 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 81.9 m-85 -116.87 126.19 52.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.536 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 38.2 ptt85 -161.73 134.91 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.436 HG22 HG12 ' A' ' 77' ' ' ILE . 5.0 pt -79.21 -15.86 13.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.1 t -143.86 151.52 39.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.52 46.18 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.48 ' CE ' ' HB2' ' A' ' 109' ' ' ASP . 17.6 mtmm -113.06 -35.72 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 25.0 tptt -159.8 128.91 5.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.536 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -110.87 150.58 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 90' ' ' LYS . 5.3 m-85 -129.21 162.94 26.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -55.53 -44.74 76.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.3 177.77 31.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.476 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.3 mm? -51.02 -58.43 6.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.3 m -32.75 -46.55 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -74.84 -61.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.672 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.5 tm? -40.15 -49.12 2.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.959 HG13 ' HG ' ' A' ' 118' ' ' LEU . 58.9 t -65.1 -44.08 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -50.66 -45.9 58.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -62.22 -45.76 91.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.672 ' CE2' HD21 ' A' ' 98' ' ' LEU . 10.9 m-85 -69.04 -21.74 64.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.458 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 75.9 mt-30 -69.41 -11.31 60.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.482 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.7 pt20 -116.77 -19.02 10.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.585 ' O ' HG22 ' A' ' 117' ' ' THR . 13.8 m-80 -122.92 147.3 46.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.65 ' HA ' HG23 ' A' ' 117' ' ' THR . 3.8 m -64.27 147.89 51.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.603 HD21 ' HB3' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -77.88 -12.47 59.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.912 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -41.63 -37.03 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.48 ' HB2' ' CE ' ' A' ' 89' ' ' LYS . 12.0 p-10 -37.74 -40.57 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 5.6 t -95.88 -33.53 12.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 114' ' ' LEU . 92.1 m-85 -131.68 80.72 1.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -41.16 -30.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.451 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 66.7 m -73.44 -38.57 65.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 111' ' ' PHE . 25.3 tp -98.28 96.87 8.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -101.21 75.88 1.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 117' ' ' THR . 14.8 t -123.62 -173.96 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.65 HG23 ' HA ' ' A' ' 106' ' ' SER . 1.8 p -155.8 144.75 20.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.959 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.7 mm? -58.13 96.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.451 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.6 mt-30 -78.08 -74.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.439 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -141.4 152.37 63.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.667 0.746 . . . . 0.0 110.856 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.8 Cg_endo -69.75 161.02 47.55 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.352 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.716 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 11.3 p90 -74.52 -35.43 63.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.611 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 18.2 mttm -70.19 -24.17 63.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.479 ' HA ' HD13 ' A' ' 27' ' ' LEU . 3.3 tm-20 -32.12 134.64 0.26 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.71 0.767 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 126' ' ' GLU . 53.9 Cg_endo -69.74 149.08 66.51 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.729 2.286 . . . . 0.0 112.311 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 125' ' ' PRO . 50.7 tt0 -34.24 135.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -39.34 -49.85 2.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 75.7 mtt-85 -76.98 48.03 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 6.9 t -86.97 161.39 18.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.589 ' O ' HG22 ' A' ' 130' ' ' ILE . 3.9 mp -70.67 80.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.0 p -42.31 134.3 2.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -145.54 147.08 31.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 80.4 p -69.76 172.7 7.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 84.03 127.93 1.51 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -174.0 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.7 2.266 . . . . 0.0 112.341 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 38.6 m -94.48 41.98 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 138' ' ' GLY . 33.4 t 42.68 42.1 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 137' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 p -92.04 42.2 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.92 0.391 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -108.29 -51.01 2.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.79 78.23 0.58 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.524 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 m -65.97 97.94 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -170.13 173.49 5.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.88 69.54 0.37 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.429 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -116.32 86.1 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.9 135.76 36.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.089 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -173.37 147.08 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.75 129.13 27.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -109.97 92.4 4.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -41.68 146.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -108.79 177.98 4.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.569 ' CG ' ' O ' ' A' ' 15' ' ' TRP . 36.4 p-90 -173.36 105.52 0.13 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 12.2 t-105 -158.78 156.74 30.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -85.77 41.96 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.35 145.25 9.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 141.07 44.14 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 173.62 10.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -53.24 142.77 20.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.573 ' O ' HG22 ' A' ' 25' ' ' VAL . 4.1 m-20 -117.08 82.97 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.567 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 52.1 mt -49.76 -22.02 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 t -58.27 -34.23 70.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 22' ' ' ASP . 16.0 m -55.62 -27.3 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.15 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.576 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 31.4 m-70 -68.0 177.07 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 124' ' ' GLU . 80.0 mt -99.26 -50.97 3.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.576 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 1.2 p-90 -59.78 -25.63 65.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.473 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 15.7 t80 -67.79 114.05 6.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.725 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -118.42 37.7 3.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 37.47 -153.23 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 90.8 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.452 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 19.8 ttp -116.51 138.88 51.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.606 ' OE2' HG11 ' A' ' 56' ' ' VAL . 5.5 mm-40 -70.98 162.98 28.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.503 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 4.7 tmm_? -58.97 -53.87 53.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.503 ' N ' ' HD2' ' A' ' 35' ' ' ARG . . . -50.81 -48.93 59.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.92 -51.55 10.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.568 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -62.78 -36.78 84.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.312 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.674 ' HA ' HG21 ' A' ' 72' ' ' VAL . 23.2 mt-10 -69.6 -22.42 63.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.9 t -94.65 -28.52 15.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.452 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 35.0 mt -73.95 -53.3 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.539 ' HG ' HD23 ' A' ' 51' ' ' LEU . 31.4 mt -75.61 -11.08 59.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -47.13 -57.66 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -78.62 -33.24 47.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 27.1 mmt180 -43.41 165.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.2 m -90.04 136.81 32.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.1 p-10 -36.9 126.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.828 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.458 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 111.43 -19.69 23.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.511 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.466 ' O ' HD22 ' A' ' 42' ' ' LEU . 20.1 m -65.68 100.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 111.16 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.819 ' CD2' HD12 ' A' ' 118' ' ' LEU . 23.4 p90 -89.59 157.64 17.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.814 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -154.77 133.78 12.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.527 HG22 HG12 ' A' ' 64' ' ' ILE . 22.1 t -105.12 145.38 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.678 HH21 ' HD1' ' A' ' 74' ' ' HIS . 14.0 ptt85 -153.09 167.0 30.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.571 ' NE2' ' CE2' ' A' ' 62' ' ' PHE . 4.2 tp-100 -96.75 157.03 16.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.5 ' O ' ' C ' ' A' ' 56' ' ' VAL . 2.9 mmt85 -75.99 68.08 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.606 HG11 ' OE2' ' A' ' 34' ' ' GLU . 2.7 m 30.03 48.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.954 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 6.4 mmtt -172.11 139.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.82 108.82 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 49.15 32.47 4.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.954 ' HB2' ' CB ' ' A' ' 57' ' ' LYS . . . -61.05 -63.15 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -170.7 105.03 0.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.7 ' HB3' HD12 ' A' ' 77' ' ' ILE . 83.5 m-85 -60.47 146.05 46.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.93 130.42 20.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.755 HG13 HD11 ' A' ' 77' ' ' ILE . 33.5 mt -97.78 122.01 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.458 ' O ' HD11 ' A' ' 42' ' ' LEU . 6.1 m -128.65 123.82 34.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.701 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -127.87 168.64 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -87.96 117.59 26.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.553 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 17.4 t80 -145.1 141.35 28.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.908 ' O ' HG22 ' A' ' 70' ' ' VAL . 3.4 t-20 50.87 33.33 8.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.908 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.35 24.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 3.0 pt-20 -141.42 136.44 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.674 HG21 ' HA ' ' A' ' 39' ' ' GLU . 85.2 t -81.03 99.92 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -82.96 157.25 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.678 ' HD1' HH21 ' A' ' 53' ' ' ARG . 64.7 m-70 -128.12 142.94 51.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.586 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.7 mt -132.47 124.79 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.49 ' O ' HG22 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -73.75 148.26 42.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.861 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.755 HD11 HG13 ' A' ' 64' ' ' ILE . 88.2 mt -116.07 109.06 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mtm -80.83 137.94 36.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.534 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.4 p -119.05 137.75 53.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.154 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.01 127.75 6.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 64.79 25.27 12.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.1 6.17 86.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.408 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 6.9 mt -99.31 161.36 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.534 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 76.0 m-85 -125.69 124.87 42.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.676 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 19.9 ptt85 -162.05 123.89 2.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 76' ' ' LYS . 43.0 pt -62.76 -21.0 26.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.0 t -136.79 152.6 50.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -81.54 45.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -112.82 -36.13 5.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.481 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 23.5 tptt -155.24 120.83 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.676 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -103.36 151.71 22.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.481 ' CZ ' ' HG2' ' A' ' 90' ' ' LYS . 11.5 m-85 -130.65 159.81 36.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.923 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -57.02 -41.3 78.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.38 176.02 32.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.444 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.477 HD11 HD13 ' A' ' 77' ' ' ILE . 1.4 mm? -53.91 -59.48 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.9 0.381 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 95' ' ' LEU . 4.8 m -32.63 -44.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -76.79 -59.62 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.861 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.4 tm? -42.02 -48.97 4.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.782 HG13 ' HG ' ' A' ' 118' ' ' LEU . 24.4 t -64.3 -45.24 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -50.11 -45.51 52.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.433 ' O ' ' HG3' ' A' ' 104' ' ' GLN . 32.3 t80 -64.19 -42.66 96.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.861 ' CE2' HD21 ' A' ' 98' ' ' LEU . 8.2 m-85 -70.3 -20.01 63.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.493 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 19.4 mt-30 -69.2 -16.01 63.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.948 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.44 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.4 pt20 -110.46 -23.34 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.44 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 11.1 m-80 -116.7 140.76 49.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.692 ' HA ' HG23 ' A' ' 117' ' ' THR . 2.8 m -68.26 145.43 54.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -68.69 -10.57 57.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.9 pttt -41.81 -36.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -49.02 -47.98 44.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.441 ' SG ' HD11 ' A' ' 86' ' ' ILE . 2.8 m -83.33 -40.74 19.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 114' ' ' LEU . 95.0 m-85 -134.75 85.48 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 113' ' ' SER . 1.9 tmtp? -37.8 -62.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.456 ' N ' ' HD3' ' A' ' 112' ' ' LYS . 4.5 m -42.37 -34.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 111' ' ' PHE . 6.9 tp -99.58 91.24 4.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.956 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.72 77.65 1.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.553 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 13.8 t -130.24 -177.8 4.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.692 HG23 ' HA ' ' A' ' 106' ' ' SER . 1.0 OUTLIER -150.16 152.06 34.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.819 HD12 ' CD2' ' A' ' 50' ' ' PHE . 2.1 mm? -67.74 88.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.458 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.4 mt-30 -71.6 -72.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.457 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -141.72 152.05 61.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.62 0.724 . . . . 0.0 110.864 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.4 Cg_endo -69.71 166.56 27.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.366 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.725 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 14.9 p90 -76.56 -37.71 56.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.614 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 8.6 mtmt -71.55 -18.75 62.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.445 ' HA ' HD13 ' A' ' 27' ' ' LEU . 2.3 tm-20 -34.78 133.78 0.42 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 126' ' ' GLU . 53.3 Cg_endo -69.73 171.46 14.39 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.313 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 125' ' ' PRO . 8.5 tt0 -34.7 136.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -39.71 101.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -166.28 117.8 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 56.4 p -103.72 94.0 5.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.638 ' H ' HD13 ' A' ' 130' ' ' ILE . 0.2 OUTLIER -83.68 20.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 t -149.65 164.39 35.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -97.74 133.35 42.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.0 t -63.59 162.83 12.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -74.77 143.61 31.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 140.74 43.39 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 55.0 m -120.81 165.11 15.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 89.7 p -136.08 128.2 29.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -135.51 116.25 13.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.4 p -128.09 145.33 51.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.7 72.3 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.477 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -128.1 91.38 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.897 0.379 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.7 p -135.37 157.83 45.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.3 -94.62 0.63 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -59.2 126.65 28.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.755 0.312 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.73 104.58 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.051 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -90.08 119.72 30.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -158.43 150.58 21.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -146.56 116.53 7.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -142.09 152.87 43.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -93.5 164.62 13.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.548 ' O ' ' CD2' ' A' ' 15' ' ' TRP . 9.1 p-90 -109.71 37.35 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.503 ' O ' ' N ' ' A' ' 18' ' ' GLY . 7.7 t-105 -82.0 144.96 30.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 38.89 25.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 16' ' ' TRP . . . -50.89 167.37 0.5 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.504 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 156.03 64.45 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 179.81 3.43 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.728 2.285 . . . . 0.0 112.34 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' N ' ' CD ' ' A' ' 21' ' ' GLN . 19.3 mp0 -92.13 122.61 34.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.12 89.6 7.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.541 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 62.9 mt -97.96 -26.48 14.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.0 p -57.18 -33.81 67.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.9 m -58.33 -19.47 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 31.9 m-70 -77.72 163.95 25.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 124' ' ' GLU . 67.5 mt -90.14 -35.74 15.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.505 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.4 p-90 -80.36 15.29 1.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.437 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 18.8 t80 -107.66 94.55 5.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.943 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -97.85 35.13 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.23 -153.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.444 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 85.65 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 27.7 ttp -110.72 146.75 35.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -82.86 146.69 28.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -39.96 -55.98 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.27 -61.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.29 -50.24 6.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.448 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -61.0 -37.25 81.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.584 ' HA ' HG21 ' A' ' 72' ' ' VAL . 21.3 mt-10 -74.45 -23.11 58.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.3 t -91.95 -28.57 17.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.792 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.2 mt -74.62 -57.79 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.84 HD12 HG13 ' A' ' 72' ' ' VAL . 31.6 mt -65.69 -22.42 66.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -45.89 -45.51 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' ARG . 55.0 m-80 -88.21 -31.5 19.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.476 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 17.2 mmp_? -49.28 179.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.75 148.96 23.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 11.2 p-10 -50.14 102.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.471 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 132.79 -19.19 4.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.645 ' O ' HD22 ' A' ' 42' ' ' LEU . 42.0 m -64.38 102.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.334 . . . . 0.0 111.09 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.579 ' HB2' HG22 ' A' ' 66' ' ' ILE . 23.5 p90 -88.66 154.89 19.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.656 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -153.18 129.14 10.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.844 HG22 HG12 ' A' ' 64' ' ' ILE . 23.6 t -99.48 141.84 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -143.68 167.29 22.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.774 ' OE1' ' HB3' ' A' ' 60' ' ' ALA . 0.8 OUTLIER -108.51 148.09 30.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.807 ' HB2' ' HB1' ' A' ' 60' ' ' ALA . 24.8 mtm180 -82.55 36.13 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.0 m 38.17 51.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.92 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 20.2 mmtp -151.89 154.64 36.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -47.36 111.77 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 46.94 27.9 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.92 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . . . -43.91 126.23 4.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 62' ' ' PHE . 9.0 pt-20 -41.65 94.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.838 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.52 ' CB ' HD12 ' A' ' 77' ' ' ILE . 60.6 m-85 -36.2 154.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -136.41 130.17 32.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.844 HG12 HG22 ' A' ' 52' ' ' VAL . 44.5 mt -103.11 127.25 57.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.3 m -130.33 133.43 46.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.84 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -137.67 168.82 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -89.86 115.42 27.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.568 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 11.8 t80 -144.45 142.51 30.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.896 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.2 OUTLIER 50.88 33.2 8.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.896 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.16 24.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 68' ' ' TYR . 3.9 pt-20 -141.54 141.02 33.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.84 HG13 HD12 ' A' ' 42' ' ' LEU . 63.4 t -84.24 98.81 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.424 ' HE3' HD13 ' A' ' 114' ' ' LEU . 20.1 mmtt -83.63 156.82 22.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -129.5 144.92 51.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.653 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.635 HG21 HD13 ' A' ' 86' ' ' ILE . 19.5 mt -130.39 127.66 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.161 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.38 138.36 36.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.693 HD11 HG13 ' A' ' 64' ' ' ILE . 75.1 mt -109.44 103.76 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.8 mtm -74.74 142.57 44.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.556 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.1 p -116.61 136.5 52.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.67 127.87 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 66.16 25.23 10.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.98 18.04 70.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.469 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 79' ' ' THR . 5.1 mt -113.09 170.89 7.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.775 0.321 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.556 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 78.1 m-85 -132.25 124.97 29.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.951 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.638 ' CZ ' ' HB2' ' A' ' 91' ' ' ALA . 11.0 ptt180 -161.63 124.4 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.635 HD13 HG21 ' A' ' 75' ' ' ILE . 5.6 pt -62.92 -21.56 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.414 ' N ' HG13 ' A' ' 86' ' ' ILE . 6.2 t -135.38 149.51 49.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -79.17 44.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -110.01 -34.99 6.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -160.21 121.53 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.638 ' HB2' ' CZ ' ' A' ' 85' ' ' ARG . . . -102.28 153.11 20.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.521 ' CE1' HD23 ' A' ' 98' ' ' LEU . 7.3 m-85 -130.63 161.86 30.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -55.25 -43.99 75.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.48 -177.11 29.33 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 96' ' ' THR . 0.7 OUTLIER -53.91 -59.81 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.355 . . . . 0.0 110.879 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 95' ' ' LEU . 4.3 m -32.55 -44.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -75.3 -59.59 2.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.684 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.5 tm? -44.39 -51.41 8.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.729 HG13 ' HG ' ' A' ' 118' ' ' LEU . 59.0 t -65.04 -48.02 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -55.78 -33.29 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.473 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 65.2 t80 -71.21 -52.23 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.684 ' CE2' HD21 ' A' ' 98' ' ' LEU . 11.2 m-85 -59.6 -25.07 64.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.944 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -55.99 -13.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.96 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -117.21 -21.42 8.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -119.89 125.69 49.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.472 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 8.6 t -57.5 144.85 35.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.462 HD12 HD13 ' A' ' 75' ' ' ILE . 1.1 mm? -67.15 -10.58 51.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -42.48 -35.38 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -41.4 -43.0 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.2 t -94.64 -30.08 14.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 114' ' ' LEU . 99.1 m-85 -134.68 80.38 1.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.49 -26.3 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 91.0 p -73.57 -38.06 65.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.831 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 111' ' ' PHE . 25.6 tp -95.51 97.87 10.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.48 80.09 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.568 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 14.6 t -141.4 156.88 45.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 17.5 p -126.14 150.28 48.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.729 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.8 mm? -57.43 91.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.471 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.6 mt-30 -71.5 -74.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -142.45 154.13 63.2 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.617 0.722 . . . . 0.0 110.88 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.2 Cg_endo -69.81 171.53 14.35 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.336 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.943 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 26.9 p90 -81.39 -39.95 24.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.615 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 8.7 mtmm -67.96 -21.68 65.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 123' ' ' LYS . 1.7 tt0 -32.37 126.38 0.37 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.631 0.729 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 149.87 67.41 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.69 2.26 . . . . 0.0 112.328 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -58.29 -11.1 2.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -38.35 -41.4 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 56.07 43.14 27.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 31.7 p -150.66 144.23 25.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 20.2 tt -53.99 145.59 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.1 m -156.76 160.87 39.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -118.35 41.42 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.3 t -42.0 130.44 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -107.68 -109.66 3.37 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.424 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 122.5 9.19 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 85.6 p -82.76 -48.99 10.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 79.8 p -56.58 -47.79 78.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -110.46 153.64 24.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -87.49 42.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.13 91.73 0.79 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.517 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -77.04 -46.8 22.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -66.34 115.32 6.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.38 -64.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.452 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -126.95 102.3 6.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.35 28.74 4.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -148.8 138.79 22.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.81 157.19 46.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -114.4 37.86 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -111.4 144.92 39.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -161.95 172.79 15.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 39.8 p90 -98.56 41.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 -116.34 140.09 49.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 18' ' ' GLY . 6.3 pt-20 -57.3 -38.76 74.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.448 ' N ' ' HG3' ' A' ' 17' ' ' GLU . . . 140.73 156.02 6.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.524 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 143.59 51.31 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.307 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 128.49 16.07 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.262 . . . . 0.0 112.348 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -134.42 110.62 9.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.01 95.72 5.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.565 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 71.9 mt -98.35 -23.4 15.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.6 t -56.74 -36.89 70.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -53.96 -24.32 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.645 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 22.4 m-70 -70.12 158.45 35.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.825 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.514 HD13 ' HA ' ' A' ' 124' ' ' GLU . 69.0 mt -87.25 -33.08 19.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.645 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.1 p-90 -82.98 18.31 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -112.23 97.23 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.575 ' HB2' ' CE1' ' A' ' 122' ' ' PHE . . . -99.9 35.51 2.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.109 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 34.65 -148.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.4 ' HD2' ' HA3' ' A' ' 31' ' ' GLY . 53.8 Cg_endo -69.79 87.76 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.499 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 26.0 ttp -118.0 137.57 52.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.431 ' HG2' HG21 ' A' ' 56' ' ' VAL . 29.9 mt-10 -75.01 162.86 28.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 15.2 ttp-105 -55.2 -52.93 61.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.66 -57.38 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.5 -53.25 8.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.53 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -60.07 -36.13 76.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.855 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 25.8 mt-10 -72.38 -27.32 62.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.4 t -93.16 -22.97 18.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.499 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 26.0 mt -78.08 -55.76 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.65 ' CG ' HD23 ' A' ' 51' ' ' LEU . 28.4 mt -76.38 -18.05 59.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.855 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -46.57 -44.45 18.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -88.64 -31.49 18.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.417 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 14.6 mmp_? -48.79 171.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -90.08 137.29 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.82 122.08 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.45 ' CA ' ' HG3' ' A' ' 119' ' ' GLN . . . 116.71 -20.13 12.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.2 m -65.52 105.81 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 111.162 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.61 ' CD2' HD12 ' A' ' 118' ' ' LEU . 25.5 p90 -94.04 150.94 19.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.753 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -148.81 128.28 13.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.731 HG22 HG12 ' A' ' 64' ' ' ILE . 4.0 t -96.83 138.71 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.502 ' HD3' HD11 ' A' ' 51' ' ' LEU . 21.9 ptt85 -143.36 156.41 44.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -109.87 119.98 41.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.774 ' HB2' ' HB3' ' A' ' 60' ' ' ALA . 19.1 mtp85 -36.55 156.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.431 HG21 ' HG2' ' A' ' 34' ' ' GLU . 12.4 t -75.09 50.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.583 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 12.1 mtpp -149.0 157.37 43.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 59' ' ' ALA . 9.1 t70 -36.56 102.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 32.95 38.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.774 ' HB3' ' HB2' ' A' ' 55' ' ' ARG . . . -54.85 147.01 15.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 60' ' ' ALA . 53.6 mt-10 -32.65 123.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.547 ' HB3' HD12 ' A' ' 77' ' ' ILE . 60.2 m-85 -64.04 174.4 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.69 136.47 11.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.088 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.731 HG12 HG22 ' A' ' 52' ' ' VAL . 8.7 mt -106.3 122.28 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 18.9 t -121.73 131.23 53.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.596 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -138.38 162.98 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -85.81 114.56 22.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.557 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 16.7 t80 -144.22 145.9 32.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.89 ' O ' HG22 ' A' ' 70' ' ' VAL . 10.4 t-20 51.35 32.7 8.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.89 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 65.34 25.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.3 pt-20 -143.8 139.1 29.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.562 HG11 ' HA ' ' A' ' 39' ' ' GLU . 99.6 t -78.66 96.63 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 65' ' ' SER . 22.2 mmtt -83.24 153.65 24.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -124.72 147.97 48.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.626 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 64' ' ' ILE . 33.2 mm -119.38 146.24 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.118 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.68 114.8 26.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.595 HD11 HG13 ' A' ' 64' ' ' ILE . 83.0 mt -93.54 126.67 45.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.1 mtm -107.4 159.0 16.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.3 p -134.82 139.75 45.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.83 124.95 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 68.31 25.0 7.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.19 20.88 63.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.519 ' O ' HG22 ' A' ' 79' ' ' THR . 12.5 mt -113.61 167.77 10.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.416 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 54.3 m-85 -128.75 124.38 35.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.432 ' NE ' ' O ' ' A' ' 87' ' ' THR . 0.0 OUTLIER -161.9 131.19 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.571 HG12 ' CE2' ' A' ' 102' ' ' TYR . 3.1 pt -71.33 -11.68 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.432 ' O ' ' NE ' ' A' ' 85' ' ' ARG . 6.3 t -148.33 166.13 28.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.4 37.34 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 89' ' ' LYS . 1.5 mmmp? -98.91 -39.2 8.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.601 ' HE3' ' CE2' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -163.63 121.15 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -96.4 159.88 14.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.604 ' CD1' HD23 ' A' ' 98' ' ' LEU . 7.6 m-85 -137.34 158.35 44.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 56.1 mmt-85 -50.3 -48.64 55.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.96 179.22 30.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.3 mm? -48.96 -63.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 95' ' ' LEU . 20.8 m -32.63 -48.54 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -71.78 -58.33 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.604 HD23 ' CD1' ' A' ' 92' ' ' PHE . 2.0 tm? -43.73 -52.53 6.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.892 HG13 ' HG ' ' A' ' 118' ' ' LEU . 61.2 t -60.4 -45.4 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -48.36 -38.44 19.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.563 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 38.6 t80 -67.89 -56.8 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.571 ' CE2' HG12 ' A' ' 86' ' ' ILE . 13.6 m-85 -58.81 -18.41 31.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.615 ' OE1' HG12 ' A' ' 99' ' ' VAL . 31.9 mt-30 -70.51 -13.67 62.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 101' ' ' PHE . 1.3 pt20 -115.55 -22.03 9.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.523 ' O ' HG22 ' A' ' 117' ' ' THR . 8.6 m120 -121.45 145.72 47.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.512 ' HA ' HG23 ' A' ' 117' ' ' THR . 23.3 t -67.19 143.46 56.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.2 mp -74.19 -7.37 52.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 33.1 pttt -41.68 -36.0 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 109' ' ' ASP . 1.2 t0 -41.6 -43.85 2.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 35.2 t -90.95 -33.41 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 114' ' ' LEU . 94.5 m-85 -133.28 80.6 1.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -39.33 -44.2 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 60.3 p -60.66 -37.37 81.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 111' ' ' PHE . 21.8 tp -99.52 95.09 6.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.27 66.93 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.557 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 13.3 t -118.79 -178.83 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 105' ' ' ASN . 9.4 p -147.47 166.99 25.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.892 ' HG ' HG13 ' A' ' 99' ' ' VAL . 1.7 mm? -77.48 94.87 4.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.45 ' HG3' ' CA ' ' A' ' 48' ' ' GLY . 6.0 mt-30 -75.71 -71.58 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -143.35 153.35 59.16 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 54.2 Cg_endo -69.76 163.31 38.74 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 2.279 . . . . 0.0 112.363 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.606 ' CE1' ' HG3' ' A' ' 123' ' ' LYS . 8.7 p90 -78.59 -41.14 32.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.606 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 21.8 mttm -62.39 -26.28 68.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.514 ' HA ' HD13 ' A' ' 27' ' ' LEU . 3.4 tt0 -31.26 128.39 0.29 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 110.958 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 151.92 69.49 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.691 2.261 . . . . 0.0 112.314 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 127' ' ' LYS . 9.3 tp10 -89.27 156.68 18.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 127' ' ' LYS . 2.7 mppt? -98.54 84.21 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 20.6 mmt85 -64.2 104.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 37.7 p -130.99 158.58 39.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.413 HD12 ' C ' ' A' ' 130' ' ' ILE . 2.7 pp -87.3 174.1 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.158 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.1 t -83.38 91.87 7.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -84.72 163.35 19.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 41.5 t -104.77 -50.57 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 55.36 73.12 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 148.68 65.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.307 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.0 m -87.04 121.22 29.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.9 t -169.35 165.66 10.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.512 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 1' ' ' GLY . 16.8 m -35.71 117.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 m -78.52 100.3 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.15 107.61 3.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.1 p -60.51 167.87 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 110.849 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 p -103.36 177.74 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.41 -39.62 2.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -100.99 -45.71 5.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.44 29.05 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.067 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.27 157.87 36.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.01 178.29 7.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.056 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -44.84 112.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 14' ' ' ASN . 31.9 mt-30 -92.03 93.46 8.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 13' ' ' GLN . 82.0 m-20 36.37 43.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.582 ' CG ' ' O ' ' A' ' 15' ' ' TRP . 5.4 t-105 -96.28 1.22 51.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.435 ' O ' ' C ' ' A' ' 17' ' ' GLU . 8.9 t-105 -91.14 151.9 20.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 16' ' ' TRP . 57.3 mm-40 -35.85 -40.59 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 178.6 149.15 7.97 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 158.68 56.18 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.647 2.231 . . . . 0.0 112.39 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.4 Cg_endo -69.74 -176.28 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' A' ' 20' ' ' PRO . 4.2 tt0 31.57 54.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -56.04 103.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.591 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 96.3 mt -97.76 -19.19 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.2 m -60.29 -37.66 81.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.4 m -53.5 -20.22 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.609 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 36.9 m-70 -78.8 157.08 28.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 124' ' ' GLU . 62.8 mt -83.55 -33.58 25.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.609 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 7.3 p-90 -82.99 18.95 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.591 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 8.4 t80 -115.06 96.03 5.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB2' ' CE1' ' A' ' 122' ' ' PHE . . . -97.0 37.18 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 34.4 -147.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.481 ' HB2' HG22 ' A' ' 56' ' ' VAL . 54.2 Cg_endo -69.73 94.8 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.366 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.504 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 34.1 ttp -126.59 137.13 53.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -78.27 153.17 32.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.496 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 35.4 ttp180 -43.17 -59.16 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . -37.33 -63.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.97 -54.48 3.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.465 ' HB1' HD21 ' A' ' 51' ' ' LEU . . . -58.2 -38.27 76.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.735 0.302 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.638 ' HA ' HG21 ' A' ' 72' ' ' VAL . 26.2 mt-10 -70.49 -27.85 64.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 t -91.04 -23.94 20.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.504 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 19.2 mt -77.16 -58.44 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.104 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.646 ' CG ' HD23 ' A' ' 51' ' ' LEU . 30.7 mt -68.93 -19.49 64.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.606 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -46.33 -48.28 18.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -86.02 -32.31 21.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.465 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 20.9 mmt180 -47.23 171.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -93.71 135.78 34.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' SER . 3.3 p-10 -37.02 124.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.452 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 113.6 -21.51 16.55 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.445 ' O ' HD22 ' A' ' 42' ' ' LEU . 8.0 m -64.92 106.92 1.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.125 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.865 ' CD2' HD12 ' A' ' 118' ' ' LEU . 21.7 p90 -95.24 156.01 16.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.649 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -152.83 130.71 11.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.761 HG22 HG12 ' A' ' 64' ' ' ILE . 19.6 t -100.65 129.95 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 6.9 ptt-85 -126.14 149.26 49.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.496 ' O ' ' C ' ' A' ' 55' ' ' ARG . 12.0 tt0 -118.94 92.53 3.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.843 ' HB2' ' HB1' ' A' ' 60' ' ' ALA . 20.1 mtp180 -29.96 134.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.481 HG22 ' HB2' ' A' ' 32' ' ' PRO . 83.0 t -51.54 84.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.9 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -164.18 171.4 15.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.74 -72.03 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.488 ' O ' ' C ' ' A' ' 60' ' ' ALA . . . -116.38 28.52 8.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.9 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . . . -30.94 133.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 62' ' ' PHE . 49.1 mt-10 -59.51 95.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.546 ' HB3' HD12 ' A' ' 77' ' ' ILE . 56.0 m-85 -41.81 164.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.414 ' O ' ' NH1' ' A' ' 53' ' ' ARG . . . -156.86 142.87 17.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.761 HG12 HG22 ' A' ' 52' ' ' VAL . 10.4 mt -109.97 111.22 35.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 4.3 t -109.33 131.25 55.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.655 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -138.1 162.7 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.444 ' HE3' ' C ' ' A' ' 70' ' ' VAL . 20.3 tptt -84.44 113.62 21.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.558 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 18.3 t80 -144.43 140.93 29.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.911 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.5 t30 51.87 31.15 7.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.911 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.44 25.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.0 pt-20 -143.11 135.68 27.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.638 HG21 ' HA ' ' A' ' 39' ' ' GLU . 68.0 t -78.26 98.62 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -83.43 156.88 22.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.496 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 49.7 m-70 -119.25 146.95 44.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.59 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.657 ' CG2' HD13 ' A' ' 86' ' ' ILE . 4.1 mm -126.9 97.17 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -56.08 126.18 24.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.546 HD12 ' HB3' ' A' ' 62' ' ' PHE . 95.3 mt -103.23 116.2 46.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 mtm -94.18 142.36 27.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.9 p -120.25 133.98 55.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.16 118.2 9.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 68.46 25.01 6.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.22 -13.93 65.86 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.469 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 7.1 mt -79.16 153.52 30.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -114.49 125.96 54.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.678 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 25.3 ptt85 -162.15 135.94 6.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.657 HD13 ' CG2' ' A' ' 75' ' ' ILE . 5.6 pt -82.25 -14.41 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.8 t -140.48 147.67 39.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -77.66 47.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -112.65 -43.3 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.578 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.4 tmtt? -154.5 121.11 5.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.678 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -99.78 149.22 23.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.038 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.578 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 8.9 m-85 -124.48 166.76 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -59.8 -46.84 87.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.7 179.9 28.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.453 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.3 mm? -52.68 -62.36 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.4 m -32.41 -44.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -75.76 -58.37 3.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.529 HD22 ' O ' ' A' ' 98' ' ' LEU . 1.6 tm? -43.82 -48.25 8.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.919 HG13 ' HG ' ' A' ' 118' ' ' LEU . 57.4 t -64.76 -45.14 96.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -49.73 -44.65 48.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.48 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 43.3 t80 -62.0 -49.4 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.702 ' HB3' HD21 ' A' ' 107' ' ' LEU . 11.3 m-85 -65.57 -23.08 66.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.487 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 79.0 mt-30 -68.61 -11.4 60.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.472 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.1 pt20 -117.8 -20.18 8.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.559 ' O ' HG22 ' A' ' 117' ' ' THR . 12.7 m-80 -123.73 146.02 48.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.535 ' HA ' HG23 ' A' ' 117' ' ' THR . 9.8 t -61.68 147.24 46.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.702 HD21 ' HB3' ' A' ' 102' ' ' TYR . 1.2 mm? -77.45 -11.98 59.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 15.9 pttp -41.93 -34.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 82.3 m-20 -37.98 -38.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.1 t -101.66 -32.19 10.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 114' ' ' LEU . 92.1 m-85 -131.06 80.73 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.9 OUTLIER -41.53 -33.08 0.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.446 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 36.1 t -69.83 -38.36 76.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 111' ' ' PHE . 30.9 tp -96.82 96.39 8.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.944 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.11 71.91 1.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.558 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 10.6 t -125.99 -179.36 4.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.18 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 105' ' ' ASN . 8.0 p -148.44 151.81 35.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.919 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.5 mm? -61.96 96.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.452 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.2 mt-30 -75.97 -72.87 0.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -144.08 153.47 56.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.656 0.741 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.6 Cg_endo -69.77 162.7 41.08 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.241 . . . . 0.0 112.313 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.679 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 8.3 p90 -75.68 -35.94 60.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.607 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 16.3 mtmt -70.35 -23.06 62.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.556 ' HA ' HD13 ' A' ' 27' ' ' LEU . 2.3 tm-20 -32.77 133.43 0.3 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.674 0.75 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 126' ' ' GLU . 53.5 Cg_endo -69.77 -174.76 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.26 . . . . 0.0 112.335 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 125' ' ' PRO . 30.7 tt0 -34.73 136.65 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.74 147.26 23.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -174.92 157.16 2.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 32.1 p -40.32 104.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 5.7 tp -138.57 143.57 32.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 88.9 p -147.9 113.76 5.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.8 ppt_? -107.47 166.05 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.3 m -147.06 172.04 14.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 75.83 90.03 0.23 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.53 18.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.262 . . . . 0.0 112.354 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.0 m -45.8 164.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.6 t -165.87 133.03 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -110.23 174.95 5.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -154.19 174.24 15.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.97 -150.34 18.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m 59.39 44.7 14.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.369 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -135.68 130.05 33.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.808 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.47 -143.01 3.83 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.25 162.53 25.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.25 128.33 56.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -123.83 142.54 51.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -127.33 170.98 11.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -142.38 113.37 7.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.43 ' NE2' ' H ' ' A' ' 14' ' ' ASN . 5.5 tm0? -75.96 165.46 24.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.43 ' H ' ' NE2' ' A' ' 13' ' ' GLN . 8.4 m120 -122.24 104.48 9.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 41.8 p90 -114.04 45.73 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.446 ' CE2' ' OE1' ' A' ' 17' ' ' GLU . 36.2 t-105 -94.63 153.17 17.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' HG2' ' N ' ' A' ' 18' ' ' GLY . 24.7 pm0 -54.14 -30.49 49.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.455 ' N ' ' HG2' ' A' ' 17' ' ' GLU . . . 142.72 158.4 7.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 159.39 53.53 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.621 2.214 . . . . 0.0 112.372 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -168.7 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -50.88 178.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -93.96 78.03 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.601 ' HA ' ' CE1' ' A' ' 26' ' ' HIS . 38.0 mt -98.68 -24.08 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.418 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 3.0 m -57.96 -32.55 67.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.2 m -53.87 -30.39 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.601 ' CE1' ' HA ' ' A' ' 23' ' ' LEU . 15.0 m80 -65.85 175.08 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.5 mt -96.53 -52.76 3.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.454 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 2.1 p-90 -58.99 -21.89 59.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.461 ' CE1' ' HB2' ' A' ' 23' ' ' LEU . 19.1 t80 -72.08 111.49 7.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.884 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -116.48 35.63 4.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 37.69 -155.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 99.64 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.719 2.279 . . . . 0.0 112.32 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.1 ttp -127.97 139.7 52.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -70.71 160.97 31.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.588 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 29.9 ttp180 -53.6 -50.41 65.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.63 -64.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.27 -51.3 2.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.506 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -63.37 -35.66 81.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.74 0.305 . . . . 0.0 111.1 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.776 ' HA ' HG21 ' A' ' 72' ' ' VAL . 28.2 mt-10 -77.09 -22.93 52.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.4 t -95.15 -24.39 16.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 45' ' ' ARG . 21.9 mt -76.08 -57.19 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.601 HD11 HD23 ' A' ' 51' ' ' LEU . 15.1 mt -75.05 -10.92 59.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.629 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -49.26 -50.1 40.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -85.54 -31.66 22.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.637 ' HE ' HG21 ' A' ' 49' ' ' THR . 29.4 mmm180 -47.93 174.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.98 138.4 31.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -40.85 127.48 2.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.476 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 113.0 -20.52 19.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.532 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.637 HG21 ' HE ' ' A' ' 45' ' ' ARG . 26.2 m -65.15 106.49 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.363 . . . . 0.0 111.149 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.655 ' HB2' HG22 ' A' ' 66' ' ' ILE . 27.5 p90 -95.1 153.81 17.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.601 HD23 HD11 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -151.55 127.07 10.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.432 HG22 HG12 ' A' ' 64' ' ' ILE . 16.0 t -96.4 140.89 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 2.1 ptt-85 -145.18 167.37 22.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.54 ' NE2' ' O ' ' A' ' 57' ' ' LYS . 4.1 tt0 -103.04 174.83 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 56' ' ' VAL . 10.8 tpt180 -97.31 66.31 2.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.636 ' O ' HG12 ' A' ' 56' ' ' VAL . 30.3 t 35.52 40.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.54 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 43.2 mttt -159.08 151.88 21.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 59' ' ' ALA . 3.7 m-20 -60.92 135.11 57.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 33.99 44.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.064 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.45 -175.05 5.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -60.69 89.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.521 ' HB3' HD12 ' A' ' 77' ' ' ILE . 75.6 m-85 -49.56 159.97 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.447 ' O ' ' NH1' ' A' ' 53' ' ' ARG . . . -151.34 140.4 21.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.848 HG13 HD11 ' A' ' 77' ' ' ILE . 53.9 mt -108.95 127.4 65.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 4.8 t -128.39 129.5 46.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.666 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -136.41 169.42 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -92.0 116.23 28.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.555 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 15.1 t80 -144.69 143.11 30.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.879 ' O ' HG22 ' A' ' 70' ' ' VAL . 7.3 t30 51.09 33.6 9.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.879 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 65.28 25.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 68' ' ' TYR . 5.0 pt-20 -143.1 139.38 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.776 HG21 ' HA ' ' A' ' 39' ' ' GLU . 64.6 t -79.41 98.07 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 65' ' ' SER . 29.4 mmtt -82.96 157.63 22.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.588 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 6.1 m-70 -128.62 155.26 45.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.617 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.636 HG21 HD13 ' A' ' 86' ' ' ILE . 33.5 mt -138.4 126.83 30.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.138 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -76.21 137.82 40.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.848 HD11 HG13 ' A' ' 64' ' ' ILE . 95.7 mt -110.7 131.12 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.2 mtm -106.57 158.52 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.3 p -134.34 139.75 45.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.609 ' HB3' HH12 ' A' ' 85' ' ' ARG . . . -158.91 123.48 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 66.66 24.96 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.35 21.43 58.54 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.622 ' O ' HG22 ' A' ' 79' ' ' THR . 6.7 mt -113.43 172.82 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.595 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 38.6 m-85 -134.95 125.74 27.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.769 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 5.8 ptt-85 -161.83 128.84 3.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.636 HD13 HG21 ' A' ' 75' ' ' ILE . 3.7 pt -71.92 -20.12 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.41 ' N ' HG13 ' A' ' 86' ' ' ILE . 6.4 t -137.18 151.63 49.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.81 47.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -112.0 -37.04 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.498 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 22.6 tptt -161.3 130.19 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.952 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.769 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -111.43 158.56 18.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.081 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.532 ' N ' ' CD1' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -138.53 158.64 43.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.458 ' CD ' ' H ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -44.14 -58.3 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.422 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -143.99 -179.52 20.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.595 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.0 mm? -49.51 -59.5 3.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 95' ' ' LEU . 16.7 m -32.82 -47.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -72.2 -60.98 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.621 HD11 ' CE2' ' A' ' 102' ' ' TYR . 1.9 tm? -41.08 -49.49 3.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.841 HG13 ' HG ' ' A' ' 118' ' ' LEU . 60.3 t -64.74 -42.41 94.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -51.62 -35.53 42.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.53 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 30.9 t80 -73.87 -58.4 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.621 ' CE2' HD11 ' A' ' 98' ' ' LEU . 22.0 m-30 -55.31 -12.23 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.931 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.492 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 18.4 mt-30 -73.62 -22.6 59.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.944 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.609 ' HG2' ' ND2' ' A' ' 105' ' ' ASN . 8.3 pt20 -115.34 -9.31 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.609 ' ND2' ' HG2' ' A' ' 104' ' ' GLN . 0.1 OUTLIER -126.98 118.87 25.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.599 ' HA ' HG23 ' A' ' 117' ' ' THR . 46.6 t -46.89 149.4 0.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.479 HD12 HD13 ' A' ' 75' ' ' ILE . 1.5 mm? -76.62 -11.15 59.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -43.16 -26.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.78 -39.49 25.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 14.4 t -98.43 -33.02 11.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -133.39 85.99 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 113' ' ' SER . 4.1 pttp -45.81 -28.91 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.468 ' N ' ' HG3' ' A' ' 112' ' ' LYS . 51.6 p -72.78 -33.87 66.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 12.7 tp -99.32 92.95 5.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.58 77.51 2.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.555 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 15.0 t -130.76 -176.84 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.599 HG23 ' HA ' ' A' ' 106' ' ' SER . 1.9 p -153.15 149.32 27.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.841 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.6 mm? -63.42 91.07 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.476 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 6.9 mt-30 -74.07 -72.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.963 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -142.0 151.36 58.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.692 0.758 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 54.3 Cg_endo -69.74 163.5 38.02 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 2.247 . . . . 0.0 112.401 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.884 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 15.6 p90 -75.94 -34.74 59.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.608 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 21.6 mttt -71.57 -23.71 61.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.5 tm-20 -32.6 134.56 0.28 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.667 0.746 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 126' ' ' GLU . 53.7 Cg_endo -69.77 149.12 66.41 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.721 2.281 . . . . 0.0 112.344 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 125' ' ' PRO . 40.4 tt0 -34.35 142.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -56.09 -48.86 75.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -70.0 77.15 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 129' ' ' THR . 9.1 t -146.15 116.31 7.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 42.2 mt -68.66 85.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 60.7 p -147.61 176.95 9.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -116.16 100.65 8.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 88.0 p -132.71 134.03 44.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -153.93 130.31 2.89 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.433 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -24.57 29.44 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.753 2.302 . . . . 0.0 112.285 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 88.1 p -124.75 96.41 4.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 80.0 p -48.59 -45.03 37.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 m -76.4 153.1 35.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 110.822 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -163.14 130.91 3.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.14 140.23 16.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 m -156.11 128.01 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.921 0.391 . . . . 0.0 110.834 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -113.52 155.72 24.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.67 73.56 0.42 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -154.61 159.76 41.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.337 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.57 99.13 8.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -141.98 156.31 45.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.35 28.31 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -114.67 45.16 1.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -80.2 44.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -122.08 81.33 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.548 ' O ' ' CD2' ' A' ' 15' ' ' TRP . 10.1 p-90 -106.7 37.77 2.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -127.85 140.62 51.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -41.77 -44.71 3.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -136.66 179.5 17.87 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 123.21 9.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -166.94 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.0 mp0 58.23 50.98 8.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.73 94.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.798 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.57 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 31.4 mt -98.36 -20.1 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.1 p -59.46 -35.9 74.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 m -56.5 -31.62 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.564 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 34.7 m-70 -66.92 160.09 26.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 124' ' ' GLU . 85.2 mt -87.86 -34.27 18.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.564 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 7.0 p-90 -81.57 19.06 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.57 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 20.3 t80 -113.46 93.22 4.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.554 ' HB2' ' CE1' ' A' ' 122' ' ' PHE . . . -91.09 25.4 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 40.64 -142.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.573 ' HB2' HG12 ' A' ' 56' ' ' VAL . 53.8 Cg_endo -69.72 88.28 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.711 2.274 . . . . 0.0 112.361 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.2 ttp -124.83 141.96 51.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -88.36 168.81 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.55 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 48.0 ttp180 -54.48 -54.25 43.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.66 -60.93 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.07 -52.34 6.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.522 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.496 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -61.87 -40.99 97.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.852 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 71.7 mt-10 -67.44 -27.06 66.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.4 t -93.03 -19.38 21.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.0 mt -84.67 -55.78 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.143 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.654 HD13 ' HA ' ' A' ' 66' ' ' ILE . 41.1 mt -75.0 -15.25 60.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.852 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -51.28 -45.24 62.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -89.38 -31.34 17.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.405 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 5.1 mmp_? -46.86 173.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.1 m -92.85 133.79 35.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.4 OUTLIER -36.56 118.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.447 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 119.73 -20.52 9.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.538 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 122' ' ' PHE . 5.6 m -64.9 101.62 0.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.761 0.315 . . . . 0.0 111.186 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.724 ' CD2' HD12 ' A' ' 118' ' ' LEU . 23.8 p90 -91.63 152.02 20.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.822 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -150.29 131.81 14.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.492 HG22 HG12 ' A' ' 64' ' ' ILE . 29.6 t -100.32 140.98 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.134 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 3.9 ptt-85 -147.16 167.88 23.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.424 ' HG3' ' HB3' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -119.78 172.03 7.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.568 ' HB2' ' HB1' ' A' ' 60' ' ' ALA . 14.4 mmt180 -80.63 43.07 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.573 HG12 ' HB2' ' A' ' 32' ' ' PRO . 11.1 m 37.24 54.97 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.176 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 58' ' ' ASP . 15.3 mttm -160.16 144.99 14.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 57' ' ' LYS . 5.3 m-20 -32.94 117.43 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 36.72 45.79 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HB1' ' HB2' ' A' ' 55' ' ' ARG . . . -68.17 168.09 12.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -60.09 110.47 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.452 ' HB3' HD12 ' A' ' 77' ' ' ILE . 65.1 m-85 -68.28 165.33 18.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.78 140.44 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.124 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.805 HG13 HD11 ' A' ' 77' ' ' ILE . 74.1 mt -103.75 115.76 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 2.5 t -120.29 129.34 53.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.654 ' HA ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -139.44 162.54 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -86.09 116.29 24.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 116' ' ' THR . 13.6 t80 -143.85 142.69 30.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.875 ' O ' HG22 ' A' ' 70' ' ' VAL . 20.2 t30 50.82 33.57 8.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 65.25 25.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.167 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 68' ' ' TYR . 3.8 pt-20 -141.85 138.44 32.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.604 HG21 ' HA ' ' A' ' 39' ' ' GLU . 66.5 t -79.63 98.97 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -82.98 156.96 23.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.55 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 7.7 m-70 -131.22 150.75 52.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.642 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.545 HD13 HD12 ' A' ' 107' ' ' LEU . 54.5 mt -133.86 127.51 52.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.155 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.59 135.08 38.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.805 HD11 HG13 ' A' ' 64' ' ' ILE . 88.4 mt -110.55 127.98 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.7 mtm -105.83 157.61 17.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.3 p -129.63 141.87 50.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.151 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.14 124.72 3.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 65.88 25.03 11.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.66 19.32 64.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.529 ' O ' HG22 ' A' ' 79' ' ' THR . 5.7 mt -111.48 168.58 9.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -129.66 122.89 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.684 ' CZ ' ' HB2' ' A' ' 91' ' ' ALA . 14.4 ptt180 -161.89 129.53 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.545 HD13 HG21 ' A' ' 75' ' ' ILE . 41.9 pt -68.88 -23.15 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.45 HG21 ' SG ' ' A' ' 110' ' ' CYS . 8.8 t -133.08 149.62 52.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -78.33 48.01 0.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -109.29 -45.04 3.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.581 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.8 tmtt? -154.93 116.89 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.684 ' HB2' ' CZ ' ' A' ' 85' ' ' ARG . . . -94.05 154.29 17.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.634 ' CD1' HD23 ' A' ' 98' ' ' LEU . 9.2 m-85 -129.88 158.83 38.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 93' ' ' ARG . 4.7 mmm180 -52.23 -42.02 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.68 175.4 36.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.1 mm? -48.17 -59.14 3.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.92 0.391 . . . . 0.0 110.946 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 95' ' ' LEU . 10.2 m -32.66 -42.37 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -79.75 -58.3 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.634 HD23 ' CD1' ' A' ' 92' ' ' PHE . 2.1 tm? -43.03 -44.51 4.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.972 HG13 ' HG ' ' A' ' 118' ' ' LEU . 86.5 t -69.59 -43.98 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -53.3 -45.24 68.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.461 ' O ' ' HG3' ' A' ' 104' ' ' GLN . 55.1 t80 -61.9 -38.13 87.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.487 ' HB3' ' CD2' ' A' ' 118' ' ' LEU . 11.3 m-85 -77.08 -20.52 55.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.494 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 75.0 mt-30 -67.75 -20.72 65.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.514 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 4.8 pt20 -106.43 -24.09 12.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.514 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 26.0 m-80 -118.51 140.3 50.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.515 ' HA ' HG23 ' A' ' 117' ' ' THR . 32.7 t -67.4 148.02 52.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.545 HD12 HD13 ' A' ' 75' ' ' ILE . 2.1 mm? -72.16 -10.45 59.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.946 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 41.3 pttt -41.86 -44.1 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.458 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 27.3 t70 -44.93 -49.85 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.45 ' SG ' HG21 ' A' ' 87' ' ' THR . 9.6 m -82.95 -37.21 24.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -134.91 87.21 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -43.01 -46.32 5.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.2 t -56.9 -33.29 66.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.6 tp -102.59 92.59 4.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -102.49 73.81 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.571 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 10.5 t -138.55 179.84 6.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.515 HG23 ' HA ' ' A' ' 106' ' ' SER . 8.1 p -142.1 154.52 44.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.972 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.6 mm? -63.63 88.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.447 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.6 mt-30 -65.63 -73.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.465 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -144.05 154.74 58.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.688 0.756 . . . . 0.0 110.878 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.435 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.1 Cg_endo -69.84 163.55 37.91 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.665 2.243 . . . . 0.0 112.314 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.61 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 12.8 p90 -77.87 -40.42 40.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.61 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 21.3 mttt -63.35 -25.58 68.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.496 ' HA ' HD13 ' A' ' 27' ' ' LEU . 3.3 tm-20 -32.71 133.15 0.3 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 152.11 69.26 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.335 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 127' ' ' LYS . 15.0 tt0 -41.68 164.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.687 ' O ' HG22 ' A' ' 129' ' ' THR . 16.9 tttt -31.7 -54.16 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.1 ptt85 -45.71 104.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 127' ' ' LYS . 10.5 t -165.03 161.72 19.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 9.9 pt -73.18 166.82 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 41.1 t -108.01 136.29 47.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -98.36 84.76 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.8 p -142.52 140.49 31.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 165.04 71.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 113.87 3.51 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 26.9 p -68.47 87.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 138' ' ' GLY . 3.9 t -105.05 162.65 13.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 137' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -133.98 157.6 45.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -171.46 125.07 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.62 172.49 45.01 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -119.72 162.4 19.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.3 m -109.13 150.02 28.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.86 122.76 0.66 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -135.49 112.06 9.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.01 102.94 14.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -126.95 144.04 51.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.47 158.16 16.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -120.89 125.07 46.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -134.06 132.49 40.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -114.66 138.22 50.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.6 p90 -79.85 44.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -109.68 150.22 28.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 18' ' ' GLY . 12.4 pt-20 -80.49 43.99 0.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -36.36 145.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.437 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 147.46 62.56 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.488 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.5 Cg_endo -69.76 -166.77 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.367 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.488 ' C ' ' O ' ' A' ' 20' ' ' PRO . 8.6 pm0 31.15 54.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.422 ' O ' HG22 ' A' ' 25' ' ' VAL . 10.1 t0 -50.04 116.3 1.77 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.453 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 87.6 mt -87.33 -21.13 25.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.0 p -59.77 -30.07 68.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 22' ' ' ASP . 14.2 m -57.23 -19.76 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.573 ' CE1' ' OG1' ' A' ' 96' ' ' THR . 18.6 m80 -80.21 167.54 20.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 124' ' ' GLU . 40.6 mt -93.2 -33.06 14.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -83.11 17.23 2.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.453 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 12.1 t80 -109.19 96.88 6.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.834 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -99.26 30.58 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.112 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.9 -144.59 0.25 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 87.76 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.671 2.247 . . . . 0.0 112.345 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.768 ' HE3' ' CB ' ' A' ' 30' ' ' ALA . 14.7 ttm -115.86 143.74 44.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.424 ' N ' ' HG2' ' A' ' 33' ' ' MET . 36.1 mt-10 -89.77 159.08 17.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -47.62 -53.26 15.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.78 -56.58 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.78 -51.34 18.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.632 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -63.59 -37.5 87.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.753 0.311 . . . . 0.0 111.072 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.733 ' HA ' HG21 ' A' ' 72' ' ' VAL . 27.6 mt-10 -72.52 -27.1 62.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.6 m -92.01 -23.54 19.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.9 mt -79.06 -57.95 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.648 HD13 ' HA ' ' A' ' 66' ' ' ILE . 33.9 mt -72.6 -10.37 59.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -51.8 -54.76 25.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -81.43 -32.55 32.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -45.58 168.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.3 m -86.63 133.06 33.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' SER . 4.1 p-10 -37.71 121.85 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.44 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 117.51 -19.83 11.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.459 ' O ' HD22 ' A' ' 42' ' ' LEU . 27.9 m -65.22 100.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 111.12 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.667 ' CD2' HD12 ' A' ' 118' ' ' LEU . 25.1 p90 -86.83 152.03 22.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.828 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -149.29 130.23 14.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.543 HG22 HG12 ' A' ' 64' ' ' ILE . 17.0 t -98.23 131.87 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.46 ' HD3' HD11 ' A' ' 51' ' ' LEU . 29.9 ptt85 -135.68 162.62 32.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' O ' ' C ' ' A' ' 55' ' ' ARG . 3.5 tt0 -133.25 98.33 4.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.639 ' HB2' ' HB1' ' A' ' 60' ' ' ALA . 42.6 mtp180 -32.89 147.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 56' ' ' VAL . 15.7 m -73.78 81.5 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.535 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 34.9 mttp -162.38 165.92 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.01 101.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 60' ' ' ALA . . . 48.87 28.73 2.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.639 ' HB1' ' HB2' ' A' ' 55' ' ' ARG . . . -32.18 106.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 60' ' ' ALA . 22.3 pt-20 -33.61 117.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -51.67 165.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.34 143.66 20.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.724 HG13 HD11 ' A' ' 77' ' ' ILE . 17.0 mt -106.83 124.69 62.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.427 ' O ' HD11 ' A' ' 42' ' ' LEU . 8.0 m -126.64 128.81 47.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.669 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -135.68 167.93 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.098 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.46 ' CE ' ' HA ' ' A' ' 70' ' ' VAL . 24.9 tptt -89.57 116.35 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.597 ' CE1' ' HB ' ' A' ' 116' ' ' THR . 11.2 t80 -145.3 139.83 27.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.829 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.7 t30 51.54 32.73 9.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.829 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 64.3 25.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.1 pt-20 -140.14 129.17 23.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.733 HG21 ' HA ' ' A' ' 39' ' ' GLU . 57.8 t -74.19 99.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -82.68 157.04 23.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -133.41 138.79 46.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.592 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.507 HG21 HD12 ' A' ' 86' ' ' ILE . 56.4 mt -124.89 127.73 72.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 138.54 41.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.724 HD11 HG13 ' A' ' 64' ' ' ILE . 97.4 mt -110.99 105.9 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.7 mtm -78.29 137.77 38.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.2 p -117.47 139.54 50.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.09 128.66 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 64.49 25.04 13.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.55 16.17 71.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.536 ' O ' HG22 ' A' ' 79' ' ' THR . 4.2 mt -106.93 165.61 11.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.446 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 72.6 m-85 -127.67 121.63 30.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.518 ' CD ' ' HB2' ' A' ' 91' ' ' ALA . 19.2 ptt85 -161.78 131.82 4.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.507 HD12 HG21 ' A' ' 75' ' ' ILE . 18.2 pt -74.09 -16.99 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.425 ' O ' ' HD2' ' A' ' 85' ' ' ARG . 5.1 t -136.36 144.5 44.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -77.59 45.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -112.4 -38.13 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.614 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.1 tmtm? -156.17 114.09 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.518 ' HB2' ' CD ' ' A' ' 85' ' ' ARG . . . -95.77 154.16 17.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.66 ' CD1' HD23 ' A' ' 98' ' ' LEU . 10.6 m-85 -127.74 160.8 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -57.82 -40.29 79.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.0 173.73 34.61 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.1 mm? -48.91 -61.74 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.573 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 11.5 m -33.22 -45.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 100' ' ' GLU . 46.3 mm-40 -74.01 -56.64 4.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.66 HD23 ' CD1' ' A' ' 92' ' ' PHE . 2.3 tm? -45.04 -49.83 11.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.909 HG13 ' HG ' ' A' ' 118' ' ' LEU . 46.1 t -62.48 -44.2 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 97' ' ' GLU . 4.7 mt-10 -48.06 -47.08 34.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.474 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 32.1 t80 -61.86 -48.74 79.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.607 ' HE2' HD11 ' A' ' 98' ' ' LEU . 20.0 m-85 -68.18 -20.09 64.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.496 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 56.4 mt-30 -70.21 -11.42 60.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.958 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.472 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.1 pt20 -115.75 -21.41 9.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.472 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 13.2 m-80 -119.27 149.11 42.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.467 ' HB3' ' CE ' ' A' ' 108' ' ' LYS . 31.1 t -75.31 138.6 41.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.431 HD12 HD13 ' A' ' 75' ' ' ILE . 2.2 mm? -62.86 -13.34 32.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.467 ' CE ' ' HB3' ' A' ' 106' ' ' SER . 6.9 ptpt -41.8 -36.77 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -50.42 -45.73 55.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.426 ' SG ' HD11 ' A' ' 86' ' ' ILE . 3.8 m -85.15 -39.11 18.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 114' ' ' LEU . 92.6 m-85 -135.05 87.13 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 111' ' ' PHE . 1.4 tmmt? -33.96 -64.31 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.452 ' N ' ' HD2' ' A' ' 112' ' ' LYS . 8.9 m -40.3 -40.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 111' ' ' PHE . 3.8 tp -92.17 97.11 10.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 115' ' ' ASP . 29.0 t0 -111.27 65.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.597 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 14.6 t -129.01 -175.65 3.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 105' ' ' ASN . 39.2 p -144.34 159.28 42.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.909 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.4 mm? -69.78 89.23 0.56 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.44 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 11.3 mt-30 -67.21 -74.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.484 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 1.1 m-85 -142.36 155.58 64.36 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.649 0.738 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.6 Cg_endo -69.78 169.69 18.36 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.661 2.241 . . . . 0.0 112.309 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.834 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 17.2 p90 -81.01 -37.99 28.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.609 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 28.6 mttt -67.59 -24.22 65.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.2 tt0 -32.99 128.06 0.38 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.721 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 149.59 67.01 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 127' ' ' LYS . 19.7 tp10 -54.07 -13.48 0.82 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 126' ' ' GLU . 10.5 tttt -34.81 104.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.5 105.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 80.6 p -124.34 98.49 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 131' ' ' SER . 14.7 tt -56.56 -40.96 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.425 ' N ' HG23 ' A' ' 130' ' ' ILE . 30.5 p -128.32 92.07 3.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.6 11.35 3.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 70.0 m -76.14 124.16 26.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 146.94 176.0 20.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 167.75 23.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.9 t -132.88 164.32 27.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 49.4 p -83.21 129.13 34.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.512 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -165.13 139.81 5.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 p -139.27 176.16 8.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.05 110.89 0.84 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -103.95 155.73 18.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 0.0 110.863 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.4 p -88.8 -32.7 17.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.53 75.54 0.1 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -172.68 146.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.67 168.05 28.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.092 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.18 150.92 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.52 122.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.087 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -100.78 105.2 16.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.433 ' CD ' ' O ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -125.54 62.99 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -45.14 146.0 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.544 ' O ' ' CD2' ' A' ' 15' ' ' TRP . 11.3 p-90 -123.52 37.28 4.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -121.99 142.44 50.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -47.8 -43.87 28.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -159.17 -162.66 12.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 155.55 65.55 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 174.37 9.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.662 2.242 . . . . 0.0 112.35 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -94.06 -178.32 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -111.93 80.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.527 ' HA ' ' CE1' ' A' ' 26' ' ' HIS . 51.4 mt -98.57 -22.4 15.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.437 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 62.3 p -57.21 -36.4 70.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.8 m -55.91 -21.23 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.088 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.527 ' CE1' ' HA ' ' A' ' 23' ' ' LEU . 21.1 m170 -72.85 162.69 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.495 HD13 ' HA ' ' A' ' 124' ' ' GLU . 47.9 mt -89.64 -34.76 16.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.409 ' CH2' ' ND1' ' A' ' 26' ' ' HIS . 5.3 p-90 -80.64 15.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.437 ' CD2' ' HA ' ' A' ' 24' ' ' SER . 6.8 t80 -106.09 95.75 5.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.749 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -99.77 34.77 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.07 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 34.28 -147.64 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 134.48 28.15 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.25 . . . . 0.0 112.34 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.426 ' CE ' ' CD1' ' A' ' 41' ' ' ILE . 14.7 ttp -172.61 148.85 2.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.824 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.436 ' HA ' ' NH2' ' A' ' 55' ' ' ARG . 4.6 mp0 -84.61 171.31 12.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 31.8 ttp180 -60.75 -50.19 74.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.54 -57.68 3.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.1 -62.89 3.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.434 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.523 ' HB2' ' HD3' ' A' ' 53' ' ' ARG . . . -50.52 -39.65 49.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 111.121 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.6 ' HA ' HG21 ' A' ' 72' ' ' VAL . 25.7 mt-10 -67.65 -23.16 65.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -95.74 -20.27 19.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.426 ' CD1' ' CE ' ' A' ' 33' ' ' MET . 84.2 mt -78.53 -51.5 17.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.764 HD12 HG13 ' A' ' 72' ' ' VAL . 10.1 mt -79.58 -10.47 59.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -49.35 -41.69 39.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -93.71 -27.22 16.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.482 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 5.5 mmp_? -48.41 176.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.23 142.47 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -45.82 101.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.467 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 132.92 -18.19 4.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.483 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.762 ' O ' HD22 ' A' ' 42' ' ' LEU . 31.5 m -64.76 100.84 0.42 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.8 0.333 . . . . 0.0 111.117 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.689 ' CD2' HD12 ' A' ' 118' ' ' LEU . 21.0 p90 -88.0 156.31 19.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.716 HD23 ' CG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -154.96 128.02 8.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.926 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.75 HG22 HG12 ' A' ' 64' ' ' ILE . 15.0 t -94.97 130.38 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.523 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 27.8 ptt85 -135.91 125.82 25.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.498 ' NE2' ' N ' ' A' ' 60' ' ' ALA . 4.9 tp60 -84.11 132.13 34.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.518 ' HB3' ' CB ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -45.95 172.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.44 ' C ' ' HG2' ' A' ' 57' ' ' LYS . 2.2 t -75.41 51.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 1.006 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 23.9 mmtp -147.9 159.07 44.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -44.97 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.06 49.03 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.056 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 1.006 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . . . -58.38 -177.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 62' ' ' PHE . 29.0 mt-10 -81.85 92.01 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.629 ' HB3' HD12 ' A' ' 77' ' ' ILE . 58.2 m-85 -37.87 158.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 75' ' ' ILE . . . -147.07 136.12 22.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.75 HG12 HG22 ' A' ' 52' ' ' VAL . 13.9 mt -105.94 110.38 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 51' ' ' LEU . 6.9 m -111.77 132.91 54.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.677 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -135.74 167.13 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.151 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.508 ' HG3' ' HZ2' ' A' ' 67' ' ' LYS . 3.9 tptp -89.34 108.13 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.447 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 17.1 t80 -146.23 155.07 42.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.702 ' O ' HG22 ' A' ' 70' ' ' VAL . 9.8 t-20 49.67 36.76 11.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 70' ' ' VAL . 0.7 OUTLIER 58.35 24.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 5.1 pt-20 -147.86 151.3 35.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.764 HG13 HD12 ' A' ' 42' ' ' LEU . 46.7 t -86.55 93.3 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 65' ' ' SER . 10.9 mmtt -82.38 152.72 26.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.576 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 7.9 m-70 -121.15 152.6 38.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.621 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 3.1 mm -124.44 119.96 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.108 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -73.66 121.02 20.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.651 HD11 HG13 ' A' ' 64' ' ' ILE . 66.7 mt -97.28 127.42 49.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.4 mtm -102.93 155.26 18.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.84 139.29 51.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.157 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.16 126.82 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 66.39 25.08 10.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.26 15.61 76.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.4 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 7.1 mt -110.59 165.64 11.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 110.94 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -125.48 127.73 46.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.503 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 10.4 ptt180 -162.29 129.4 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.548 HG12 ' CZ ' ' A' ' 102' ' ' TYR . 5.4 pt -68.9 -19.05 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.5 t -142.94 152.26 41.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -76.8 47.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -111.24 -34.69 6.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 16.8 tptt -163.56 124.01 2.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.503 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -103.85 151.6 22.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' A' ' 101' ' ' PHE . 3.5 m-85 -130.06 167.37 18.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 55.2 mmt-85 -57.56 -43.35 84.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.01 179.89 34.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.5 mm? -45.69 -65.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.869 0.366 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 95' ' ' LEU . 4.5 m -32.23 -55.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.432 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 8.0 mm-40 -62.62 -54.47 39.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.947 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.3 tm? -49.73 -60.9 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.851 HG13 ' HG ' ' A' ' 118' ' ' LEU . 45.2 t -54.92 -46.55 76.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -47.37 -37.66 11.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.479 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 60.2 t80 -71.68 -55.57 7.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.947 ' CE2' HD21 ' A' ' 98' ' ' LEU . 21.2 m-85 -56.46 -16.63 6.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.97 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.478 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 30.7 mt-30 -72.35 -19.56 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 101' ' ' PHE . 3.6 pt20 -110.63 -15.47 13.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.724 ' O ' HG22 ' A' ' 117' ' ' THR . 11.5 m120 -122.48 148.85 44.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.645 ' HA ' HG23 ' A' ' 117' ' ' THR . 2.8 m -69.19 147.08 51.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.552 HD23 ' HA ' ' A' ' 117' ' ' THR . 1.3 mm? -78.97 -14.09 59.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -42.18 -35.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -40.36 -41.09 1.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.844 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.1 t -96.94 -33.59 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 112' ' ' LYS . 93.5 m-85 -134.23 82.28 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 111' ' ' PHE . 1.7 ttmm -37.86 -62.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.1 t -41.15 -40.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 25.9 tp -93.79 96.59 9.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.79 66.09 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.447 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 11.6 t -124.1 -174.49 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.724 HG22 ' O ' ' A' ' 105' ' ' ASN . 1.5 p -152.24 165.95 33.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.851 ' HG ' HG13 ' A' ' 99' ' ' VAL . 1.6 mm? -73.25 95.45 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.467 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.4 mt-30 -76.34 -72.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -142.53 154.1 62.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.726 . . . . 0.0 110.913 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.8 Cg_endo -69.74 168.32 21.88 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.749 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 10.9 p90 -80.56 -35.8 33.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.609 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 18.5 mtmt -70.77 -23.07 62.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.495 ' HA ' HD13 ' A' ' 27' ' ' LEU . 3.1 tm-20 -32.06 133.01 0.28 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.727 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 126' ' ' GLU . 53.6 Cg_endo -69.75 150.52 68.41 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.733 2.288 . . . . 0.0 112.358 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 125' ' ' PRO . 53.6 tt0 -34.99 137.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -72.45 87.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -118.9 130.06 55.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 26.0 p -78.3 84.51 4.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 23.3 pt -89.08 178.44 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 54.5 p -42.49 -47.19 5.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -77.29 48.37 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 18.7 t -46.08 100.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.94 133.08 0.68 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 136.31 32.75 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.743 2.295 . . . . 0.0 112.352 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.7 t -78.54 155.78 29.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.3 m 53.76 41.87 31.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 p -172.12 151.6 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.873 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -166.27 137.54 3.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.01 160.02 14.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 t -131.96 144.22 50.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -131.06 173.77 10.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.2 83.18 1.43 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -102.63 136.44 42.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.314 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.79 -58.75 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 54.84 41.93 31.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.46 128.69 55.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.063 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -128.69 97.31 4.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -90.04 138.73 31.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -62.63 123.79 19.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.539 ' O ' ' CD2' ' A' ' 15' ' ' TRP . 8.2 p-90 -110.35 37.41 2.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -93.6 140.08 30.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 18' ' ' GLY . 11.7 pt-20 -68.27 -44.59 75.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.453 ' N ' ' HG3' ' A' ' 17' ' ' GLU . . . 156.14 -172.98 34.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 139.69 40.64 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -173.26 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.358 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -40.95 160.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.548 ' O ' HG22 ' A' ' 25' ' ' VAL . 9.7 t0 -87.59 93.33 9.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 78.3 mt -83.08 -19.89 35.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 t -59.64 -35.76 75.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 22' ' ' ASP . 17.9 m -53.6 -30.71 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.447 ' ND1' ' CH2' ' A' ' 28' ' ' TRP . 20.0 m80 -67.78 159.97 29.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.433 HD22 ' HB3' ' A' ' 123' ' ' LYS . 55.2 mt -86.89 -33.53 19.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.447 ' CH2' ' ND1' ' A' ' 26' ' ' HIS . 5.4 p-90 -82.27 19.4 1.21 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.478 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 9.5 t80 -113.4 94.89 5.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.813 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -94.56 37.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.55 -151.53 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 107.17 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.543 ' HE3' ' HB1' ' A' ' 30' ' ' ALA . 30.1 ttm -140.38 150.67 44.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.493 ' N ' ' HG2' ' A' ' 33' ' ' MET . 50.9 mt-10 -89.15 171.57 9.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.571 ' HD2' ' CE1' ' A' ' 74' ' ' HIS . 4.1 tpp85 -57.22 -65.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . -35.53 -54.92 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.1 -56.18 8.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.95 -33.4 70.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.712 0.291 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.628 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 23.7 mt-10 -74.17 -20.8 60.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 t -94.16 -24.36 17.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.0 mt -76.24 -58.77 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.581 HD22 ' O ' ' A' ' 49' ' ' THR . 10.9 mt -72.02 -12.31 61.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -50.41 -40.76 50.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -95.25 -29.31 14.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.524 ' HE ' HG21 ' A' ' 49' ' ' THR . 29.3 mmm180 -48.96 174.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -96.03 139.97 31.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.1 123.35 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 114.6 -21.71 14.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.581 ' O ' HD22 ' A' ' 42' ' ' LEU . 26.7 m -65.57 100.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 111.113 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.638 ' HB2' HG22 ' A' ' 66' ' ' ILE . 23.7 p90 -88.45 155.7 19.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -154.11 130.55 10.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.493 HG22 HG12 ' A' ' 64' ' ' ILE . 16.8 t -94.17 130.01 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' NH2' ' HD3' ' A' ' 35' ' ' ARG . 24.3 ptt85 -124.67 147.49 48.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.495 ' HG2' ' HB1' ' A' ' 60' ' ' ALA . 12.2 tt0 -117.01 115.47 25.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 10.4 mmt180 -47.67 177.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.4 m -109.99 57.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ASP . 26.3 mtpt -140.92 169.77 16.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -35.91 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.96 -22.18 59.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.524 ' O ' ' C ' ' A' ' 61' ' ' GLU . . . 48.11 54.8 9.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.524 ' C ' ' O ' ' A' ' 60' ' ' ALA . 3.7 mt-10 -28.35 108.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.715 ' HB3' HD12 ' A' ' 77' ' ' ILE . 47.7 m-85 -66.44 155.68 36.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.63 139.79 16.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.606 HG13 HD11 ' A' ' 77' ' ' ILE . 60.4 mt -100.63 122.18 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 8.6 t -119.97 131.38 55.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.651 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -140.09 168.88 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.409 ' HD2' ' O ' ' A' ' 71' ' ' GLU . 16.2 tptm -90.4 112.07 23.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.529 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 18.0 t80 -139.27 143.79 38.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 1.0 ' O ' HG22 ' A' ' 70' ' ' VAL . 8.4 t-20 50.9 31.08 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.0 HG22 ' O ' ' A' ' 69' ' ' ASN . 1.0 OUTLIER 69.08 24.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -136.2 -179.59 5.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.54 HG21 ' HA ' ' A' ' 39' ' ' GLU . 92.0 t -118.16 92.02 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 65' ' ' SER . 18.8 mmtt -87.74 150.56 23.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.571 ' CE1' ' HD2' ' A' ' 35' ' ' ARG . 7.3 m-70 -120.49 155.12 34.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.604 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.778 HG21 HD13 ' A' ' 86' ' ' ILE . 3.9 mm -128.62 109.4 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.159 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.09 138.46 37.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.715 HD12 ' HB3' ' A' ' 62' ' ' PHE . 83.5 mt -111.77 104.88 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.7 mtm -89.88 139.82 30.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.737 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.3 p -116.86 138.75 51.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.549 ' HB3' HH21 ' A' ' 85' ' ' ARG . . . -149.06 129.92 14.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.083 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 63.71 25.44 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.87 16.18 70.85 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.554 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.737 ' O ' HG22 ' A' ' 79' ' ' THR . 13.0 mt -108.91 168.95 8.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.863 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -122.94 123.72 41.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.549 HH21 ' HB3' ' A' ' 80' ' ' ALA . 18.9 ptt180 -161.39 129.31 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.778 HD13 HG21 ' A' ' 75' ' ' ILE . 5.7 pt -69.42 -20.85 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.413 ' N ' HG13 ' A' ' 86' ' ' ILE . 3.9 t -136.55 148.31 47.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -77.5 45.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -113.13 -35.42 5.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.53 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 26.0 tptt -156.47 122.0 4.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.476 ' CB ' HD13 ' A' ' 83' ' ' LEU . . . -104.11 149.39 25.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.53 ' CZ ' ' HG2' ' A' ' 90' ' ' LYS . 3.4 m-85 -129.41 164.48 23.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 34.9 mmm-85 -58.28 -46.26 86.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -151.14 179.39 27.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.6 mm? -49.45 -61.19 2.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.952 0.406 . . . . 0.0 110.937 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.3 m -33.05 -55.77 0.39 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -63.67 -54.14 40.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.879 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.2 tm? -48.74 -60.86 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.822 HG13 ' HG ' ' A' ' 118' ' ' LEU . 47.4 t -54.33 -44.5 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -47.41 -42.55 22.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.433 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 27.5 t80 -66.64 -54.72 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.879 ' CE2' HD21 ' A' ' 98' ' ' LEU . 22.0 m-85 -60.63 -17.19 45.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.774 ' OE1' HG12 ' A' ' 99' ' ' VAL . 27.9 mt-30 -73.81 -10.4 59.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 101' ' ' PHE . 1.7 pt20 -118.91 -20.17 8.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.568 ' O ' HG22 ' A' ' 117' ' ' THR . 9.7 m120 -119.95 145.35 46.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.565 ' HA ' HG23 ' A' ' 117' ' ' THR . 2.5 t -69.8 132.69 46.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.798 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.418 HD23 HG21 ' A' ' 75' ' ' ILE . 8.3 mp -62.7 -7.6 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -41.89 -30.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -50.74 -44.02 58.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.9 t -86.85 -34.95 19.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 114' ' ' LEU . 99.6 m-85 -134.89 81.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.63 -38.24 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 70.0 m -66.19 -37.04 84.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 111' ' ' PHE . 24.6 tp -98.85 93.91 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -98.31 75.17 2.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.529 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 12.6 t -129.01 169.54 14.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 105' ' ' ASN . 3.9 p -138.85 162.07 35.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.822 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.0 mm? -72.58 91.94 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.443 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 6.2 mt-30 -72.43 -72.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' PHE . 1.2 m-85 -141.64 153.84 65.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.658 0.742 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.458 ' O ' HG23 ' A' ' 49' ' ' THR . 53.9 Cg_endo -69.7 170.49 16.38 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.813 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 23.1 p90 -81.02 -34.65 32.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 17.9 mtmt -75.51 -15.19 60.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.937 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 123' ' ' LYS . 1.8 tt0 -38.1 126.55 1.03 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.666 0.746 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 149.55 66.82 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 128' ' ' ARG . 19.3 tp10 -89.08 138.52 31.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 128' ' ' ARG . 20.1 pttt -35.45 -31.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -129.3 146.36 51.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 10.0 t -162.17 140.08 8.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 130' ' ' ILE . 13.0 tt -108.99 44.46 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.164 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 130' ' ' ILE . 36.7 p 36.05 46.09 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.466 ' HB2' HG23 ' A' ' 130' ' ' ILE . 18.5 mmt85 -124.39 88.85 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 75.3 p -157.66 139.18 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 149.13 139.14 3.07 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 179.8 3.47 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.8 t -139.74 150.59 44.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 79.4 p -143.27 169.67 17.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.932 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -149.52 152.24 35.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.354 . . . . 0.0 110.902 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -140.73 108.93 5.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.02 62.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.542 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 m -109.63 96.32 6.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.942 0.401 . . . . 0.0 110.817 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.1 p -80.0 106.3 11.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.19 131.18 1.26 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -98.09 151.92 19.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.78 102.86 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -91.49 165.03 13.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -113.2 175.31 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -123.27 130.05 52.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -146.49 108.94 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -55.35 148.45 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.573 ' CG ' ' O ' ' A' ' 15' ' ' TRP . 5.8 t-105 -112.12 0.31 15.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 15.4 t-105 -90.74 165.65 13.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -80.79 42.17 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.22 169.22 39.34 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.504 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 134.64 28.48 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.656 2.237 . . . . 0.0 112.378 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -179.25 2.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.376 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -54.31 178.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -100.48 94.27 6.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.55 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 64.5 mt -97.95 -18.87 18.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.7 p -60.55 -35.35 75.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -57.82 -22.36 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.565 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 29.9 m-70 -74.35 155.49 38.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 124' ' ' GLU . 57.7 mt -83.75 -31.96 25.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.565 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 7.9 p-90 -84.6 17.46 2.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.479 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 17.9 t80 -112.48 94.06 4.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.95 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.801 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -94.34 33.28 1.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.72 -141.44 0.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.531 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 94.36 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.374 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.504 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 19.3 ttp -129.84 135.72 48.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -83.24 160.92 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.571 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 23.4 ttp-105 -47.39 -55.41 8.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.06 -62.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' ILE . . . -43.32 -53.84 5.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.51 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.436 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -57.19 -38.62 73.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.773 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 19.9 mt-10 -73.01 -27.92 62.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.4 t -93.42 -17.22 23.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.504 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 38.2 mt -84.81 -57.59 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.743 ' CG ' HD23 ' A' ' 51' ' ' LEU . 30.7 mt -75.55 -11.95 60.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -47.44 -56.4 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -80.51 -33.08 36.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.482 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 27.2 mmt180 -42.98 164.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.73 135.63 34.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.99 117.86 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.44 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 122.62 -20.97 7.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.505 ' O ' HD22 ' A' ' 42' ' ' LEU . 10.1 m -64.82 102.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 111.162 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.816 ' CD2' HD12 ' A' ' 118' ' ' LEU . 23.0 p90 -92.63 155.16 17.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.743 HD23 ' CG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -153.9 132.26 11.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.497 HG22 HG12 ' A' ' 64' ' ' ILE . 29.0 t -105.25 127.36 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 -121.31 165.73 15.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.458 ' O ' ' C ' ' A' ' 55' ' ' ARG . 25.1 tt0 -132.18 107.85 8.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.85 ' HB2' ' HB1' ' A' ' 60' ' ' ALA . 1.3 mpt_? -33.48 142.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.52 ' O ' HG23 ' A' ' 56' ' ' VAL . 19.6 m -68.23 72.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -165.33 160.74 18.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.08 116.01 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 39.66 33.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.85 ' HB1' ' HB2' ' A' ' 55' ' ' ARG . . . -43.55 126.82 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -39.97 122.51 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.507 ' HB3' HD12 ' A' ' 77' ' ' ILE . 45.4 m-85 -68.44 168.02 13.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.91 143.82 20.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.661 HG13 HD11 ' A' ' 77' ' ' ILE . 64.3 mt -107.06 122.3 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.6 t -128.14 130.41 48.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.658 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -138.49 165.29 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.469 ' HE3' ' C ' ' A' ' 70' ' ' VAL . 24.7 tptt -83.99 115.29 22.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.579 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 17.1 t80 -145.19 142.64 29.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.871 ' O ' HG22 ' A' ' 70' ' ' VAL . 10.1 t-20 51.28 32.25 8.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.871 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 64.72 24.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.196 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.0 pt-20 -142.05 133.49 26.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.689 HG21 ' HA ' ' A' ' 39' ' ' GLU . 65.5 t -74.64 98.04 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -82.64 157.5 23.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.571 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 2.9 m-70 -134.38 144.82 48.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.566 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.65 HG21 HD13 ' A' ' 86' ' ' ILE . 55.9 mt -127.76 130.71 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.39 140.88 38.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.661 HD11 HG13 ' A' ' 64' ' ' ILE . 94.5 mt -112.15 131.49 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.1 mtm -107.19 142.1 37.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.1 p -116.76 137.43 52.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.28 126.22 5.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.062 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 65.91 24.98 11.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.77 19.78 64.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 79' ' ' THR . 5.3 mt -112.44 170.35 8.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.932 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -131.43 121.62 24.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.778 ' CZ ' ' HB2' ' A' ' 91' ' ' ALA . 13.4 ptt180 -162.03 129.74 4.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.841 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.65 HD13 HG21 ' A' ' 75' ' ' ILE . 13.7 pt -69.05 -23.35 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.1 t -131.53 147.49 52.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -78.11 46.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.464 ' HA ' ' CE ' ' A' ' 89' ' ' LYS . 1.9 mmpt? -109.17 -44.36 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.593 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.0 tmtt? -153.2 115.9 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.778 ' HB2' ' CZ ' ' A' ' 85' ' ' ARG . . . -93.87 152.07 19.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.698 ' CD1' HD23 ' A' ' 98' ' ' LEU . 6.6 m-85 -128.68 141.69 51.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' PHE . 11.7 mmp_? -35.62 -48.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.17 179.02 29.05 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.5 mm? -51.33 -62.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.929 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.9 m -32.46 -42.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 5.9 mm-40 -75.71 -58.3 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.698 HD23 ' CD1' ' A' ' 92' ' ' PHE . 2.6 tm? -45.68 -41.78 10.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.679 HG13 ' HG ' ' A' ' 118' ' ' LEU . 48.6 t -71.39 -41.89 73.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -53.33 -33.03 51.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.532 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 22.6 t80 -73.01 -59.53 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.498 ' CB ' HD23 ' A' ' 118' ' ' LEU . 18.4 m-85 -56.29 -12.02 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.449 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 52.9 mt-30 -73.81 -22.09 59.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.617 ' HG2' ' ND2' ' A' ' 105' ' ' ASN . 4.9 pt20 -115.51 -6.62 12.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.617 ' ND2' ' HG2' ' A' ' 104' ' ' GLN . 0.2 OUTLIER -132.44 118.44 19.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.565 ' HA ' HG23 ' A' ' 117' ' ' THR . 1.4 t -50.84 147.41 4.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.463 HD12 HD13 ' A' ' 75' ' ' ILE . 1.8 mm? -70.2 -11.57 60.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.3 pttt -42.14 -40.07 2.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -48.39 -48.3 36.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.46 ' SG ' HD11 ' A' ' 86' ' ' ILE . 3.6 m -84.75 -40.21 17.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 114' ' ' LEU . 95.5 m-85 -134.37 84.28 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -37.72 -64.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.5 t -39.74 -34.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 111' ' ' PHE . 6.3 tp -100.44 92.11 5.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.26 78.86 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.579 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 11.3 t -136.39 179.04 6.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.565 HG23 ' HA ' ' A' ' 106' ' ' SER . 2.9 p -145.92 149.55 34.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.816 HD12 ' CD2' ' A' ' 50' ' ' PHE . 2.5 mm? -63.83 87.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.44 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 15.7 mt-30 -69.17 -74.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.428 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -140.95 153.74 67.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.661 0.743 . . . . 0.0 110.882 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.8 Cg_endo -69.73 162.9 40.28 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.346 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.801 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 14.2 p90 -74.15 -35.08 64.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.608 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 7.7 mtmm -71.81 -23.36 61.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.466 ' HA ' HD13 ' A' ' 27' ' ' LEU . 1.9 tm-20 -32.87 131.76 0.33 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.667 0.746 . . . . 0.0 110.888 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.498 ' HG2' HG23 ' A' ' 130' ' ' ILE . 54.1 Cg_endo -69.77 148.72 65.65 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 125' ' ' PRO . 8.6 tp10 -34.49 137.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 128' ' ' ARG . 8.3 pttm -59.71 -32.86 70.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.481 ' N ' ' HG3' ' A' ' 127' ' ' LYS . 57.9 mtt180 -49.76 -39.22 37.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 129' ' ' THR . 9.7 t -150.25 113.0 4.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.498 HG23 ' HG2' ' A' ' 125' ' ' PRO . 19.3 mt -110.52 122.42 65.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 71.9 p -43.64 128.07 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -42.38 102.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.2 p -85.99 155.66 20.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -139.01 151.12 21.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 168.53 21.28 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.694 2.262 . . . . 0.0 112.35 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 27.2 t -136.18 116.3 13.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 t -57.61 99.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t -111.25 130.16 55.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -91.06 -59.93 2.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.72 135.78 2.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -119.7 42.24 2.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.825 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -87.59 163.5 16.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.55 107.23 3.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -43.19 -55.26 4.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.755 0.312 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.5 136.1 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -158.6 161.94 37.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.88 117.08 11.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -130.15 132.22 45.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -50.93 137.9 20.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -91.95 42.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.544 ' O ' ' CD2' ' A' ' 15' ' ' TRP . 9.2 p-90 -88.29 37.43 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -108.77 -177.77 3.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -79.71 41.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.58 162.01 0.13 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 160.42 49.76 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.728 2.286 . . . . 0.0 112.358 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -172.46 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.635 2.223 . . . . 0.0 112.36 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.35 167.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -79.24 96.74 6.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.577 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 83.4 mt -98.61 -25.3 14.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.424 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 47.2 t -57.29 -37.17 72.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.6 m -52.97 -31.54 17.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.636 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 19.9 m-70 -64.33 159.05 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 124' ' ' GLU . 78.7 mt -85.06 -34.37 22.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.636 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.6 p-90 -82.58 20.59 1.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.499 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 7.7 t80 -113.79 97.01 6.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.67 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -104.98 34.95 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.081 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 36.84 -154.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 91.85 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.361 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.47 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 24.9 ttp -112.43 145.32 40.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 35' ' ' ARG . 51.2 mt-10 -77.6 136.23 38.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 39.9 ttp180 -36.37 -53.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.67 -52.8 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -48.29 -56.06 9.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.535 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.56 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -56.22 -38.64 71.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.758 0.314 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.912 ' HA ' HG21 ' A' ' 72' ' ' VAL . 43.8 mt-10 -69.67 -24.46 63.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.9 t -95.94 -22.76 17.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.47 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 19.4 mt -77.88 -55.48 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.515 HD13 ' HA ' ' A' ' 66' ' ' ILE . 22.2 mt -75.29 -10.41 59.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -52.52 -47.12 66.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -88.21 -31.56 19.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.4 mmp_? -49.64 173.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.3 137.77 32.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -39.41 125.14 1.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.457 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 114.81 -20.52 14.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.429 ' CG2' ' HA ' ' A' ' 122' ' ' PHE . 12.3 m -65.02 101.34 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 111.166 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.675 ' HB2' HG22 ' A' ' 66' ' ' ILE . 24.0 p90 -91.9 153.31 19.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.583 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -150.26 125.91 10.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.9 HG22 HG12 ' A' ' 64' ' ' ILE . 10.1 t -96.61 126.7 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.439 ' CZ ' ' HA ' ' A' ' 35' ' ' ARG . 35.8 ptt85 -131.94 165.98 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.643 ' NE2' ' CZ ' ' A' ' 62' ' ' PHE . 3.9 tt0 -104.4 169.59 8.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HG3' ' CG ' ' A' ' 61' ' ' GLU . 7.9 mmm180 -94.47 62.43 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.533 ' O ' HG12 ' A' ' 56' ' ' VAL . 21.1 t 36.9 45.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.459 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 28.7 mttm -159.55 164.19 34.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' ALA . 25.7 m-20 -73.22 136.49 44.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 35.3 38.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . . . -75.76 163.63 27.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.085 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.435 ' CG ' ' HG3' ' A' ' 55' ' ' ARG . 12.0 pt-20 -49.6 92.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.836 ' HB3' HD12 ' A' ' 77' ' ' ILE . 58.3 m-85 -51.96 167.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.45 129.6 8.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.04 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.9 HG12 HG22 ' A' ' 52' ' ' VAL . 54.7 mt -97.58 112.43 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 22.8 m -109.92 123.79 50.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.675 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -132.26 165.49 31.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -91.48 114.89 27.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.484 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 14.0 t80 -145.53 143.0 29.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.91 ' O ' HG22 ' A' ' 70' ' ' VAL . 3.7 t-20 50.89 33.92 9.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.91 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.25 24.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 5.2 pt-20 -143.92 144.79 31.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.912 HG21 ' HA ' ' A' ' 39' ' ' GLU . 86.8 t -85.02 96.63 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.489 ' HB3' HD22 ' A' ' 114' ' ' LEU . 25.9 mmtt -82.88 145.04 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -113.8 150.02 34.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.619 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.853 ' CG2' HD13 ' A' ' 86' ' ' ILE . 9.5 mm -126.06 95.88 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -50.52 124.2 10.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.836 HD12 ' HB3' ' A' ' 62' ' ' PHE . 66.4 mt -101.5 124.08 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.8 mtm -104.47 140.99 37.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 p -115.77 130.11 56.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.4 121.54 11.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.06 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 64.75 25.08 12.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.23 -10.48 74.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.488 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 5.5 mt -84.38 150.67 25.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.505 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 46.2 m-85 -112.23 125.26 53.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.808 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 10.5 ptt180 -162.22 134.22 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.853 HD13 ' CG2' ' A' ' 75' ' ' ILE . 3.8 pt -75.39 -19.76 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.413 ' N ' HG13 ' A' ' 86' ' ' ILE . 7.4 t -136.87 147.66 46.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -76.94 43.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -113.05 -36.77 4.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.496 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 20.8 tptt -151.38 125.9 9.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.808 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -109.9 152.14 26.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.546 ' CD1' HD23 ' A' ' 98' ' ' LEU . 4.5 m-85 -132.85 157.4 45.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -50.91 -44.27 60.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -155.71 178.44 32.29 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.505 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.0 mm? -50.69 -64.58 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.887 0.375 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.4 m -32.01 -44.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -75.54 -61.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.725 HD13 ' C ' ' A' ' 98' ' ' LEU . 2.3 tm? -43.35 -41.87 4.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.851 HG13 ' HG ' ' A' ' 118' ' ' LEU . 52.1 t -70.44 -40.84 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -51.72 -36.96 48.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.553 ' CD2' ' ND2' ' A' ' 105' ' ' ASN . 30.1 t80 -69.8 -57.77 4.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.587 ' CE2' HD11 ' A' ' 98' ' ' LEU . 16.3 m-85 -55.19 -17.82 4.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.515 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 75.5 mt-30 -72.31 -14.61 61.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -118.35 -9.07 10.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.553 ' ND2' ' CD2' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -132.73 137.92 47.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.488 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 8.2 t -59.61 142.52 52.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.485 HD22 HG21 ' A' ' 75' ' ' ILE . 1.9 mt -70.55 -10.9 60.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.0 pttp -41.28 -33.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -40.9 -40.93 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 9.0 t -103.6 -30.8 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.643 ' HE2' HG23 ' A' ' 75' ' ' ILE . 76.8 m-85 -128.98 74.47 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' PHE . 17.7 tptt -36.66 -56.17 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.3 t -49.68 -38.22 31.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 73' ' ' LYS . 16.7 tp -95.53 97.75 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -103.07 71.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.484 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 13.9 t -125.61 176.44 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.488 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 17.7 p -145.06 153.54 41.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.851 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.6 mm? -63.47 102.44 0.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.457 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 10.6 mt-30 -83.63 -73.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.445 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -142.87 153.85 61.45 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.64 0.733 . . . . 0.0 110.906 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.6 Cg_endo -69.77 164.32 34.98 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.67 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 9.2 p90 -77.8 -32.82 52.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.612 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 12.8 mtmt -74.1 -20.75 60.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.457 ' HA ' HD13 ' A' ' 27' ' ' LEU . 2.6 tt0 -34.26 128.27 0.46 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.651 0.738 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 148.95 66.51 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -65.43 149.62 49.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -100.37 81.65 2.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.8 -60.66 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.8 p -83.5 170.94 13.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 130' ' ' ILE . 3.3 tp -126.68 124.75 65.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.4 p -138.86 176.62 8.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.88 143.15 41.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.4 m -67.95 110.11 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -157.93 64.88 0.3 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 122.63 9.29 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.651 2.234 . . . . 0.0 112.381 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 32.1 m -66.68 110.4 3.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 69.3 m -153.25 133.34 13.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.534 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 m -134.02 130.01 36.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 m -50.64 172.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.54 117.57 5.91 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 m -86.06 165.58 16.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -67.68 139.26 56.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.13 -87.17 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.531 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -59.18 133.69 56.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.28 160.92 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -147.29 146.93 29.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -163.26 125.47 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.074 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -145.07 114.45 7.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -81.92 147.25 29.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -123.27 136.36 54.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.55 ' O ' ' CD2' ' A' ' 15' ' ' TRP . 8.0 p-90 -105.88 37.71 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.418 ' O ' ' C ' ' A' ' 17' ' ' GLU . 13.9 t-105 -82.48 150.68 26.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' TRP . 9.4 mm-40 -35.6 -41.12 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.77 173.51 37.88 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 137.51 35.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.659 2.239 . . . . 0.0 112.364 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 119.6 6.52 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.31 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.0 147.97 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -132.44 76.23 1.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.578 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 28.8 mt -98.52 -20.34 17.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 m -57.99 -36.8 73.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.1 m -56.38 -16.64 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.578 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 31.9 m-70 -82.49 160.18 22.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 124' ' ' GLU . 82.0 mt -87.95 -35.13 17.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.511 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.2 p-90 -82.31 19.51 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 23' ' ' LEU . 18.3 t80 -112.82 96.02 5.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.642 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -100.95 35.62 2.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 36.46 -153.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 90.67 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.449 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 32.0 ttp -119.49 134.22 55.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -66.12 172.84 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 28.8 ttp180 -64.78 -57.31 9.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.26 -54.4 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -46.63 -59.98 5.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.621 ' HB1' HD21 ' A' ' 51' ' ' LEU . . . -57.25 -37.4 72.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.335 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 40.1 mt-10 -68.94 -26.33 65.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 t -93.46 -25.8 17.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.449 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 24.9 mt -73.48 -54.03 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.59 HD12 HG13 ' A' ' 72' ' ' VAL . 19.5 mt -75.43 -15.63 60.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -48.53 -48.38 38.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -86.19 -31.88 21.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.434 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 5.1 mmp_? -46.3 173.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.1 m -94.74 132.32 39.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 46' ' ' SER . 50.7 m-20 -34.39 121.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.466 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 117.29 -20.29 11.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.441 ' O ' HD22 ' A' ' 42' ' ' LEU . 5.9 m -64.94 110.26 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 111.121 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.656 ' CD2' HD12 ' A' ' 118' ' ' LEU . 29.2 p90 -99.07 151.49 20.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.621 HD21 ' HB1' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -149.82 130.11 13.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.513 HG22 HG12 ' A' ' 64' ' ' ILE . 21.1 t -94.92 122.41 46.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.2 ptt85 -127.43 151.28 49.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.712 ' HG2' ' HB3' ' A' ' 60' ' ' ALA . 3.7 tt0 -92.07 176.56 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 56' ' ' VAL . 7.5 tpt180 -98.29 64.52 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 55' ' ' ARG . 6.5 t 34.69 54.63 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -169.79 155.28 5.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -63.6 129.82 41.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 39.41 44.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.062 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.712 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . . . -79.98 -175.87 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -66.39 87.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.828 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.517 ' HB3' HD12 ' A' ' 77' ' ' ILE . 72.3 m-85 -45.05 169.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.825 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.95 130.45 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.635 HG21 HD11 ' A' ' 118' ' ' LEU . 8.7 mt -97.54 105.6 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 9.3 t -110.25 130.21 55.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.663 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -134.78 168.61 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.159 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -91.38 113.49 25.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.564 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 17.4 t80 -143.77 145.84 32.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.835 ' O ' HG22 ' A' ' 70' ' ' VAL . 4.6 t-20 51.3 32.75 8.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.835 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 64.44 25.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -143.42 138.6 29.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.59 HG13 HD12 ' A' ' 42' ' ' LEU . 61.3 t -79.84 97.32 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 65' ' ' SER . 16.1 mmtt -82.84 150.14 26.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.574 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 34.4 m-70 -115.08 143.7 44.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.582 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.7 HD11 HD23 ' A' ' 114' ' ' LEU . 28.9 mm -122.68 95.56 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.42 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 1.2 pttm -55.92 138.26 48.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.517 HD12 ' HB3' ' A' ' 62' ' ' PHE . 80.0 mt -116.63 137.83 49.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 28.4 mtm -114.68 139.96 49.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.408 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.1 p -112.07 135.07 53.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -155.15 128.49 8.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 65.2 25.06 12.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.57 14.94 77.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mt -109.84 167.94 9.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.408 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 77.7 m-85 -127.93 120.03 26.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.878 ' NE ' ' HB2' ' A' ' 91' ' ' ALA . 15.5 ptt180 -162.0 138.02 7.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.803 HD11 ' SG ' ' A' ' 110' ' ' CYS . 7.1 pt -77.1 -21.45 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.408 ' O ' ' HD2' ' A' ' 85' ' ' ARG . 5.1 t -133.03 148.09 52.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -79.89 43.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -108.73 -40.25 5.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.601 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 2.4 tmtm? -155.78 113.22 3.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.878 ' HB2' ' NE ' ' A' ' 85' ' ' ARG . . . -95.07 154.99 16.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.103 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.601 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 4.6 m-85 -129.75 145.95 51.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -41.62 -45.36 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.99 177.2 30.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.6 mm? -50.72 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.0 m -32.62 -40.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 31.1 mm-40 -76.87 -58.94 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.628 HD13 ' C ' ' A' ' 98' ' ' LEU . 1.9 tm? -47.23 -35.68 7.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.83 HG13 ' HG ' ' A' ' 118' ' ' LEU . 58.7 t -76.26 -38.57 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -53.26 -37.73 62.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.687 ' CD2' ' ND2' ' A' ' 105' ' ' ASN . 31.0 t80 -67.46 -58.88 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.512 ' CB ' HD23 ' A' ' 118' ' ' LEU . 19.2 m-85 -55.63 -19.81 11.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.514 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 55.8 mt-30 -70.32 -15.37 62.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -116.7 -11.76 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.687 ' ND2' ' CD2' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -133.14 138.2 46.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.478 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 34.9 m -64.99 138.4 58.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.02 -5.1 5.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 32.7 pttt -41.26 -45.74 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 24.6 m-20 -42.13 -47.9 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.803 ' SG ' HD11 ' A' ' 86' ' ' ILE . 4.9 m -83.31 -34.03 25.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.457 ' HE2' HG23 ' A' ' 75' ' ' ILE . 72.2 m-85 -134.95 82.59 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -43.02 -34.37 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.5 t -69.32 -36.31 76.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.7 HD23 HD11 ' A' ' 75' ' ' ILE . 28.5 tp -101.72 96.46 7.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -102.27 74.5 1.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.564 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 12.7 t -133.12 -179.78 5.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.478 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 16.7 p -143.83 161.12 39.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.83 ' HG ' HG13 ' A' ' 99' ' ' VAL . 1.9 mm? -70.6 92.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.466 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.9 mt-30 -71.05 -74.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -142.15 153.58 63.53 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.629 0.728 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.4 Cg_endo -69.79 160.96 47.76 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.264 . . . . 0.0 112.339 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.642 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 8.4 p90 -74.28 -35.66 63.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.593 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 23.6 mttm -69.5 -24.99 63.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.6 tm-20 -32.72 132.63 0.31 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.613 0.72 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 126' ' ' GLU . 54.1 Cg_endo -69.74 151.99 69.29 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.659 2.239 . . . . 0.0 112.369 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 125' ' ' PRO . 12.6 tt0 -33.56 137.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.1 pttm -98.61 24.91 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -87.51 100.51 12.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 78.3 p -59.97 133.38 56.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.431 HG23 ' HG2' ' A' ' 132' ' ' ARG . 9.4 tt -166.01 147.08 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.4 t -54.91 103.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.431 ' HG2' HG23 ' A' ' 130' ' ' ILE . 5.4 mmp_? -115.51 167.94 10.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.0 t -80.04 116.95 20.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 116.91 145.86 8.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.03 64.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.742 2.295 . . . . 0.0 112.343 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.2 t -95.27 170.01 9.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 88.0 p -89.23 136.28 33.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.5 p -107.01 144.61 33.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 m -135.06 147.08 49.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.67 -51.46 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.447 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -66.82 87.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.838 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -148.1 127.79 13.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.87 140.68 14.95 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.05 140.69 26.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.766 0.317 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.42 175.92 9.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -105.37 83.24 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -173.86 130.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -109.01 93.14 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -139.22 166.77 23.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -130.24 114.99 16.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 35.2 p90 -101.08 41.39 1.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 22.8 t-105 -94.24 139.88 30.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -71.97 -43.51 65.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.15 145.71 49.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 131.63 21.66 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 179.32 3.74 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -40.4 153.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -131.61 90.96 2.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.554 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 70.3 mt -98.65 -19.87 17.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.3 t -61.43 -36.06 79.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.0 m -54.01 -24.59 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.554 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 34.5 m-70 -72.58 163.67 27.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.4 mt -90.86 -31.79 16.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.525 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.5 p-90 -85.15 18.16 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 23' ' ' LEU . 9.8 t80 -110.74 96.46 6.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.694 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -103.21 27.29 7.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.406 ' HA3' ' HD2' ' A' ' 32' ' ' PRO . . . 42.47 -149.95 0.4 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.406 ' HD2' ' HA3' ' A' ' 31' ' ' GLY . 53.6 Cg_endo -69.76 98.46 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.737 2.291 . . . . 0.0 112.32 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.527 ' HE3' ' CB ' ' A' ' 30' ' ' ALA . 11.3 ttm -124.82 135.67 53.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -71.74 155.01 40.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.566 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 53.4 ttt180 -48.47 -44.28 35.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.25 -63.75 1.02 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.39 -55.78 2.48 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.448 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -55.7 -42.51 75.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.865 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 20.0 mt-10 -69.07 -24.71 64.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.2 t -93.91 -21.11 19.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 65.6 mt -84.31 -58.1 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.593 ' HG ' HD23 ' A' ' 51' ' ' LEU . 41.5 mt -73.82 -13.83 61.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.865 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -46.18 -59.9 2.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.072 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -76.62 -34.35 58.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.454 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 16.5 mmt180 -42.6 161.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -82.69 135.23 35.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -38.13 119.15 0.76 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.45 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 120.76 -20.06 8.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.442 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.424 HG21 ' HD2' ' A' ' 45' ' ' ARG . 15.3 m -65.1 100.16 0.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.801 0.334 . . . . 0.0 111.117 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.698 ' CD2' HD12 ' A' ' 118' ' ' LEU . 24.2 p90 -89.4 152.94 21.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.826 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -149.53 124.94 10.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.936 HG22 HG12 ' A' ' 64' ' ' ILE . 5.4 t -95.23 124.57 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.524 ' HD3' HD11 ' A' ' 51' ' ' LEU . 36.4 ptt85 -132.81 169.37 16.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.667 ' HG2' ' HB3' ' A' ' 60' ' ' ALA . 3.8 tt0 -107.31 166.43 10.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.47 ' O ' ' C ' ' A' ' 56' ' ' VAL . 5.0 tpt180 -80.54 61.17 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' ARG . 10.9 t 32.25 53.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.443 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 15.3 mttm -167.65 153.95 7.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 59' ' ' ALA . 7.6 p-10 -55.63 131.67 46.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 33.58 40.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.667 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . . . -74.26 178.67 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -61.9 97.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.561 ' CE1' ' OE1' ' A' ' 54' ' ' GLN . 45.3 m-85 -51.62 164.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.837 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.78 130.47 7.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.936 HG12 HG22 ' A' ' 52' ' ' VAL . 46.3 mt -101.99 118.74 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.433 ' O ' HD11 ' A' ' 42' ' ' LEU . 27.1 m -120.34 131.51 54.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.677 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -134.39 163.33 37.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.464 ' CE ' ' HA ' ' A' ' 70' ' ' VAL . 24.5 tptt -84.61 115.27 22.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.572 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 14.0 t80 -144.93 139.99 27.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.896 ' O ' HG22 ' A' ' 70' ' ' VAL . 17.3 t30 51.63 32.0 8.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.896 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.08 25.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.4 pt-20 -141.55 132.05 25.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.861 HG21 ' HA ' ' A' ' 39' ' ' GLU . 58.0 t -76.26 99.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -83.45 156.88 22.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.566 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 42.2 m-70 -121.56 144.42 48.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.568 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 64' ' ' ILE . 3.6 mm -123.37 100.22 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.1 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -57.75 125.16 21.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.834 HD11 HG13 ' A' ' 64' ' ' ILE . 80.5 mt -104.14 125.0 58.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 13.4 mtm -103.6 140.87 36.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.2 p -117.34 134.23 55.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.25 118.12 9.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 66.26 25.01 10.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.98 -13.43 67.71 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.476 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 8.8 mt -78.8 155.47 29.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.544 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 77.4 m-85 -117.52 122.32 43.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.708 ' CZ ' ' HB2' ' A' ' 91' ' ' ALA . 15.2 ptt180 -161.88 131.47 4.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.853 HD11 ' SG ' ' A' ' 110' ' ' CYS . 21.1 pt -70.68 -19.63 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.8 t -140.06 153.41 46.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -79.64 45.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -112.66 -40.09 4.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.504 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 32.0 tptt -149.44 120.6 7.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.708 ' HB2' ' CZ ' ' A' ' 85' ' ' ARG . . . -105.05 148.55 26.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.552 ' CD1' HD23 ' A' ' 98' ' ' LEU . 10.2 m-85 -129.78 158.93 38.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -53.7 -44.37 69.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.39 177.96 31.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.544 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 1.8 mm? -53.56 -55.53 24.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.6 m -32.7 -46.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -75.59 -62.0 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.552 HD23 ' CD1' ' A' ' 92' ' ' PHE . 1.8 tm? -39.19 -47.72 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.893 HG13 ' HG ' ' A' ' 118' ' ' LEU . 61.9 t -68.75 -45.18 81.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -53.1 -42.75 66.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 104' ' ' GLN . 29.6 t80 -64.57 -45.64 86.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.617 ' HB3' HD21 ' A' ' 107' ' ' LEU . 9.5 m-85 -66.77 -23.28 66.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.495 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 21.4 mt-30 -65.59 -11.97 48.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.551 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 4.5 pt20 -117.01 -18.3 10.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.551 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 19.5 m-80 -120.21 142.23 49.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.0 t -67.94 136.98 54.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.617 HD21 ' HB3' ' A' ' 102' ' ' TYR . 1.2 mm? -68.34 -11.57 59.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 51.9 pttt -43.12 -44.58 5.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 1.0 OUTLIER -37.45 -48.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.853 ' SG ' HD11 ' A' ' 86' ' ' ILE . 3.6 m -84.25 -34.26 23.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -134.94 84.48 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.77 -39.67 5.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.6 m -64.57 -31.62 72.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.4 ' CD2' HD11 ' A' ' 75' ' ' ILE . 13.8 tp -103.42 96.11 6.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.72 73.7 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.572 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 10.4 t -134.6 170.62 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.8 p -136.41 166.18 24.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.893 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.7 mm? -75.85 86.45 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.45 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.3 mt-30 -66.89 -73.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.459 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 1.0 OUTLIER -142.94 155.19 62.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.74 . . . . 0.0 110.893 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 52.9 Cg_endo -69.82 168.86 20.42 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.638 2.225 . . . . 0.0 112.349 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.694 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 11.4 p90 -81.09 -35.57 31.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.623 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 15.3 mtmt -71.35 -21.42 62.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.8 tt0 -33.56 128.56 0.41 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 160.08 51.01 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.696 2.264 . . . . 0.0 112.314 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -57.12 -11.84 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -46.6 96.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.5 mmp_? -73.13 104.84 4.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 24.7 p -138.29 126.77 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.575 HD13 ' N ' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -47.57 175.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.1 m -39.9 99.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -80.32 97.88 7.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 32.4 t -63.54 112.24 2.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -39.97 111.04 0.19 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 172.84 11.98 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.671 2.247 . . . . 0.0 112.321 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.6 t -121.37 143.51 49.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 57.0 m -134.57 130.87 37.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -108.61 170.9 7.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -54.06 168.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.44 80.46 0.57 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -91.77 86.2 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.888 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 m -39.78 -56.29 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.19 66.94 1.53 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.68 126.73 14.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.62 114.88 5.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -156.94 160.79 39.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.6 156.89 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.069 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -106.46 28.35 7.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -106.04 42.35 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -148.68 -175.06 4.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.56 ' O ' ' CD2' ' A' ' 15' ' ' TRP . 10.2 p-90 -81.49 40.59 0.58 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.47 ' CD1' ' HG2' ' A' ' 17' ' ' GLU . 21.3 t-105 -79.82 148.49 31.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.47 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 11.0 pt-20 -35.36 -42.06 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.93 167.88 15.08 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.446 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 166.13 28.67 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.341 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -172.1 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.657 2.238 . . . . 0.0 112.346 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -40.76 159.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -100.99 105.11 16.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 83.2 mt -98.14 -18.19 18.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 t -62.38 -35.19 78.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -55.4 -22.67 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.479 ' CE1' ' HA ' ' A' ' 23' ' ' LEU . 19.0 m170 -74.69 158.61 33.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.5 mt -87.32 -30.65 20.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.423 ' CH2' ' ND1' ' A' ' 26' ' ' HIS . 5.2 p-90 -85.4 18.17 2.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.493 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 14.2 t80 -111.15 94.67 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.818 ' HB2' ' CE1' ' A' ' 122' ' ' PHE . . . -101.47 36.68 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 33.79 -151.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.553 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 92.94 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.735 2.29 . . . . 0.0 112.338 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.4 ttp -118.25 135.57 54.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.9 162.29 26.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.46 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 24.9 ttp180 -58.25 -54.37 47.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.63 -46.15 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.77 -63.97 4.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.542 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.51 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -48.72 -34.1 11.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 111.144 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.803 ' HA ' HG21 ' A' ' 72' ' ' VAL . 15.3 mt-10 -77.49 -25.48 50.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.8 t -90.67 -21.37 21.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.823 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.421 ' O ' ' HG2' ' A' ' 45' ' ' ARG . 25.3 mt -84.06 -61.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.79 HD11 HD23 ' A' ' 51' ' ' LEU . 15.4 mt -76.2 0.96 17.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -36.23 -71.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -116.13 19.92 14.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.46 ' HB2' ' HA ' ' A' ' 42' ' ' LEU . 4.6 mmt180 -54.25 -77.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -177.64 114.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.8 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' SER . 4.8 p-10 -35.05 107.5 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.469 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 120.58 -11.75 10.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.517 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.545 ' CG2' HD22 ' A' ' 42' ' ' LEU . 6.4 m -64.96 99.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 111.106 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.591 ' CD2' HD12 ' A' ' 118' ' ' LEU . 20.3 p90 -91.49 148.84 22.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.79 HD23 HD11 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -150.55 131.24 14.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.689 HG22 HG12 ' A' ' 64' ' ' ILE . 3.4 t -98.59 140.23 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 9.1 ptt-85 -144.26 169.38 18.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -111.31 156.98 20.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 56' ' ' VAL . 17.9 mmm180 -73.29 64.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.666 ' O ' HG12 ' A' ' 56' ' ' VAL . 61.6 t 37.46 51.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.403 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 23.6 mttm -162.69 -176.48 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -99.52 103.9 15.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 59.11 37.79 24.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.403 ' HB2' ' CB ' ' A' ' 57' ' ' LYS . . . -76.2 -64.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.063 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -161.85 105.01 1.2 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.683 ' HB3' HD12 ' A' ' 77' ' ' ILE . 87.1 m-85 -64.98 151.56 45.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.459 ' O ' ' NH1' ' A' ' 53' ' ' ARG . . . -149.89 127.92 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.689 HG12 HG22 ' A' ' 52' ' ' VAL . 15.5 mt -99.76 112.43 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 2.4 t -114.17 129.74 56.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.786 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.812 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -133.21 160.33 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.14 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.471 ' HE3' ' C ' ' A' ' 70' ' ' VAL . 27.1 tptt -86.93 115.27 24.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.43 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 23.4 t80 -145.1 144.8 31.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.875 ' O ' HG22 ' A' ' 70' ' ' VAL . 5.5 t30 51.61 31.36 7.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 66.06 25.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 3.8 pt-20 -144.35 130.12 19.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.803 HG21 ' HA ' ' A' ' 39' ' ' GLU . 89.2 t -74.73 98.66 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -82.84 150.83 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.517 ' ND1' ' NH2' ' A' ' 53' ' ' ARG . 55.4 m-70 -114.79 146.48 40.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.459 HG21 HD13 ' A' ' 86' ' ' ILE . 3.2 mm -124.54 112.52 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.141 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -70.99 123.96 23.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.683 HD12 ' HB3' ' A' ' 62' ' ' PHE . 71.2 mt -99.26 126.04 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.3 mtm -103.69 139.31 39.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.474 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.2 p -114.85 130.64 56.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.122 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -147.64 122.32 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 64.35 25.25 13.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.49 -11.22 70.66 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.645 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 4.8 mt -87.37 145.87 26.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.792 0.329 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.474 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 34.7 m-85 -110.18 129.92 55.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.791 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 4.4 ptt180 -162.2 129.89 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.459 HD13 HG21 ' A' ' 75' ' ' ILE . 4.7 pt -71.25 -17.59 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.7 t -140.59 152.56 45.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -78.61 45.41 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.84 -43.32 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 25.5 tptt -153.66 127.48 8.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.791 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -105.64 154.41 20.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.081 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 101' ' ' PHE . 7.2 m-85 -134.58 153.39 51.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -47.6 -47.33 28.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.35 -177.93 23.06 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.523 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.3 mm? -57.47 -58.36 8.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.4 m -33.16 -47.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -72.4 -58.1 3.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.963 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.5 tm? -43.63 -54.5 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.842 HG13 ' HG ' ' A' ' 118' ' ' LEU . 59.1 t -60.0 -45.1 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 103' ' ' GLN . 3.9 mt-10 -51.61 -42.69 62.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.487 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 38.0 t80 -65.52 -49.34 69.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.963 ' CE2' HD21 ' A' ' 98' ' ' LEU . 12.6 m-85 -63.26 -21.06 66.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.5 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 21.1 mt-30 -69.57 -9.21 53.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.48 ' CG ' ' O ' ' A' ' 101' ' ' PHE . 1.5 pt20 -119.04 -16.99 9.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.668 ' O ' HG22 ' A' ' 117' ' ' THR . 10.0 m120 -123.07 146.0 48.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.612 ' HA ' HG23 ' A' ' 117' ' ' THR . 3.4 m -65.91 144.7 56.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.552 HD21 ' HB3' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -76.31 -11.98 60.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.927 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -41.73 -35.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -40.03 -42.15 1.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.0 t -94.95 -30.63 14.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' LEU . 93.2 m-85 -134.94 80.94 1.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 113' ' ' SER . 1.2 pmtp? -41.26 -34.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.437 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 41.5 t -68.0 -39.02 83.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 111' ' ' PHE . 26.4 tp -96.36 96.96 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.963 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.85 69.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.43 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 10.2 t -125.58 -174.73 3.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.158 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 105' ' ' ASN . 2.8 p -153.05 158.88 42.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.842 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.3 mm? -66.19 99.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.469 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.8 mt-30 -80.48 -71.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.454 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -141.25 153.88 66.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 110.904 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.5 Cg_endo -69.79 177.7 5.34 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.721 2.281 . . . . 0.0 112.367 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.818 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 5.1 p90 -92.2 -40.03 11.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.606 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 25.8 mttt -65.68 -21.8 66.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.1 tt0 -32.76 128.6 0.36 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 149.99 68.02 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.698 2.266 . . . . 0.0 112.394 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 127' ' ' LYS . 30.9 tt0 -64.12 -6.67 6.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 126' ' ' GLU . 14.4 mttp -34.51 98.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 126' ' ' GLU . 0.5 OUTLIER -36.53 -67.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.861 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 40.4 p -79.26 110.55 14.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.68 ' H ' HD13 ' A' ' 130' ' ' ILE . 0.2 OUTLIER -101.46 140.37 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 179.845 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.5 t -173.08 161.41 4.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.7 -41.5 22.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.5 t -149.46 112.92 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 173.19 83.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 154.57 67.34 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 53.5 p -102.96 158.72 16.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 36.5 t -174.99 114.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.458 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.5 t -149.57 154.87 39.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -80.17 175.47 10.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.68 -138.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -161.87 162.13 29.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -97.24 166.6 11.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.73 -173.89 44.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -74.81 142.55 44.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.28 107.57 18.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -95.03 40.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -173.15 137.91 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -101.96 64.25 0.95 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -152.13 178.17 9.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.951 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -115.02 39.89 2.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.548 ' O ' ' CD2' ' A' ' 15' ' ' TRP . 8.1 p-90 -92.64 38.19 1.02 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 12.1 t-105 -110.03 150.75 28.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.962 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -94.87 42.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -135.87 146.61 18.6 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.447 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 155.78 64.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -172.4 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.671 2.247 . . . . 0.0 112.37 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -60.9 161.37 8.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -96.73 79.84 3.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.513 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 46.8 mt -98.66 -23.21 15.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.7 p -58.93 -36.03 74.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.6 m -55.31 -20.3 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.781 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 29.7 m-70 -75.49 159.42 31.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' A' ' 124' ' ' GLU . 41.2 mt -87.45 -32.59 19.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.781 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.0 p-90 -82.06 11.8 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.408 ' HH ' ' HE2' ' A' ' 62' ' ' PHE . 12.7 t80 -107.8 94.76 5.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.754 ' HB2' ' CE1' ' A' ' 122' ' ' PHE . . . -94.49 30.52 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.071 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.31 -147.4 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.555 ' HB2' HG22 ' A' ' 56' ' ' VAL . 54.0 Cg_endo -69.73 81.37 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.49 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 24.9 ttp -111.17 136.18 50.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -75.81 141.93 42.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -39.15 -54.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.37 -51.33 6.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.02 -45.91 56.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.748 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -65.49 -36.05 82.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.728 0.299 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.659 ' HA ' HG21 ' A' ' 72' ' ' VAL . 19.5 mt-10 -72.89 -23.62 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.4 t -95.7 -24.4 16.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.49 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 23.5 mt -76.33 -55.56 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.529 HD21 ' HB3' ' A' ' 51' ' ' LEU . 21.9 mt -70.56 -16.83 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.44 -53.23 11.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 45' ' ' ARG . 57.9 m-80 -81.95 -32.82 30.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.467 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 17.2 mmp_? -46.01 172.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -95.13 135.12 37.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' SER . 66.3 m-20 -35.77 124.48 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.47 ' CA ' ' HG3' ' A' ' 119' ' ' GLN . . . 113.21 -20.34 19.17 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.481 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.6 m -64.94 102.07 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.343 . . . . 0.0 111.133 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.82 ' CD2' HD12 ' A' ' 118' ' ' LEU . 23.0 p90 -90.99 152.97 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.831 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -150.15 130.2 13.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.868 HG22 HG12 ' A' ' 64' ' ' ILE . 22.4 t -96.16 130.9 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 -132.42 152.12 51.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.621 ' HG2' ' HB3' ' A' ' 60' ' ' ALA . 26.4 tt0 -127.93 101.73 6.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.624 ' HB2' ' HB1' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -32.58 117.49 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.555 HG22 ' HB2' ' A' ' 32' ' ' PRO . 59.2 t -34.03 90.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.875 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 16.8 mtpt -166.96 -179.12 4.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -67.04 -67.05 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -121.14 32.13 6.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.875 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . . . -43.8 113.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.071 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 60' ' ' ALA . 9.2 pt-20 -34.79 111.1 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.427 ' HB3' HD12 ' A' ' 77' ' ' ILE . 34.7 m-85 -55.21 163.51 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.18 151.39 29.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.868 HG12 HG22 ' A' ' 52' ' ' VAL . 14.1 mt -121.15 106.54 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 46.5 m -104.67 129.82 52.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.67 ' O ' HD13 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -134.04 164.09 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.415 ' HE2' ' HA ' ' A' ' 70' ' ' VAL . 16.9 tptm -87.61 114.56 24.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.491 ' CD2' ' OG1' ' A' ' 116' ' ' THR . 15.3 t80 -145.25 143.64 30.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.926 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER 51.32 32.65 8.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.926 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.25 25.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.8 pt-20 -143.83 143.2 31.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.659 HG21 ' HA ' ' A' ' 39' ' ' GLU . 98.1 t -82.9 97.33 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 65' ' ' SER . 28.4 mmtt -82.9 144.8 29.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -107.11 148.45 28.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.615 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.422 HG22 HG21 ' A' ' 86' ' ' ILE . 4.7 mm -126.91 101.95 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.161 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -63.35 122.67 16.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.618 HD11 HG13 ' A' ' 64' ' ' ILE . 86.3 mt -99.85 123.5 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.1 mtm -99.85 141.43 32.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 p -118.83 132.34 56.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.108 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.06 122.91 11.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.08 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 64.2 25.08 13.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.54 -10.71 73.74 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.62 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 6.4 mt -82.81 153.26 25.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.592 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 33.1 m-85 -115.51 124.39 50.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.727 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 30.9 ptt85 -161.87 130.73 4.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.5 HG22 HG12 ' A' ' 77' ' ' ILE . 6.0 pt -72.63 -17.53 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.504 HG21 ' OD2' ' A' ' 109' ' ' ASP . 5.2 t -141.43 154.87 45.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -81.32 49.03 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -112.87 -40.52 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.457 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 24.9 tptt -158.01 119.76 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.727 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -100.37 151.69 21.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.457 ' CZ ' ' HG2' ' A' ' 90' ' ' LYS . 3.9 m-85 -130.86 157.78 41.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -46.48 -46.67 19.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.19 -179.54 32.19 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.456 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.592 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.3 mm? -48.14 -60.66 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 95' ' ' LEU . 3.5 m -32.7 -55.49 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.415 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 57.9 mm-40 -64.33 -58.95 5.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.932 HD21 ' CE2' ' A' ' 102' ' ' TYR . 2.5 tm? -47.09 -62.91 1.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.485 ' N ' HD13 ' A' ' 98' ' ' LEU . 69.1 t -49.79 -42.14 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 103' ' ' GLN . 3.3 mt-10 -58.38 -34.38 70.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.55 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 39.0 t80 -71.76 -56.64 5.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.932 ' CE2' HD21 ' A' ' 98' ' ' LEU . 18.0 m-85 -55.87 -13.14 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.434 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 33.1 mt-30 -76.44 -17.5 59.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.601 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 4.5 pt20 -115.24 -9.24 12.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.601 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 0.1 OUTLIER -130.28 140.03 50.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.594 ' HA ' HG23 ' A' ' 117' ' ' THR . 16.7 m -56.68 150.98 14.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.709 HD23 ' HA ' ' A' ' 117' ' ' THR . 1.4 mm? -83.42 -15.7 48.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 110' ' ' CYS . 43.2 pttt -41.83 -36.95 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.504 ' OD2' HG21 ' A' ' 87' ' ' THR . 12.7 t0 -35.34 -33.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.466 ' N ' ' O ' ' A' ' 108' ' ' LYS . 12.9 t -108.41 -31.97 7.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 114' ' ' LEU . 92.8 m-85 -129.43 80.24 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 113' ' ' SER . 2.1 pptp? -42.35 -38.57 1.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.463 ' N ' ' HD2' ' A' ' 112' ' ' LYS . 22.5 t -64.71 -36.58 84.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 111' ' ' PHE . 32.8 tp -99.48 96.47 7.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -99.37 67.68 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.491 ' OG1' ' CD2' ' A' ' 68' ' ' TYR . 5.9 t -125.93 -179.77 4.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.709 ' HA ' HD23 ' A' ' 107' ' ' LEU . 2.8 p -144.34 175.12 10.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.82 HD12 ' CD2' ' A' ' 50' ' ' PHE . 2.9 mm? -83.73 98.2 9.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.47 ' HG3' ' CA ' ' A' ' 48' ' ' GLY . 5.9 mt-30 -77.24 -73.03 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.47 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -143.78 154.96 59.69 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.668 0.747 . . . . 0.0 110.899 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 54.2 Cg_endo -69.76 170.89 15.52 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.377 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.754 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 7.1 p90 -82.48 -41.76 19.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.592 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 17.1 mtmt -63.05 -25.64 68.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.479 ' HA ' HD13 ' A' ' 27' ' ' LEU . 2.0 tt0 -32.66 128.01 0.36 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 126' ' ' GLU . 53.9 Cg_endo -69.72 147.65 63.56 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.335 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 125' ' ' PRO . 9.3 tp10 -37.31 147.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -43.96 -48.85 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -60.26 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 126' ' ' GLU . 19.5 p -73.13 124.4 25.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.5 tt -140.79 131.47 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 84.9 p -88.04 79.08 8.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -40.9 98.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.4 m -155.47 122.7 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.811 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -97.26 -98.49 1.96 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 139.74 40.95 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.33 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 94.4 p -97.1 170.0 9.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 89.0 p -130.85 121.91 26.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.541 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -140.61 158.5 43.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.0 p -107.27 170.15 8.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.17 -156.0 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.523 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -126.46 104.95 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -137.78 111.94 8.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.33 141.99 3.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 29.7 pttt -104.76 -44.17 4.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.468 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -49.21 163.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -79.78 45.27 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.36 170.42 14.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 13' ' ' GLN . 33.2 mt-10 -99.22 79.35 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 12' ' ' GLU . 6.6 tt0 34.42 41.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -146.93 129.33 15.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.549 ' O ' ' CD2' ' A' ' 15' ' ' TRP . 8.3 p-90 -128.13 37.38 4.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 19.5 t-105 -115.41 157.31 24.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -86.18 42.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.53 -179.08 0.14 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 150.94 68.99 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.308 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 120.92 7.62 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.719 2.28 . . . . 0.0 112.276 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -150.25 117.32 5.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.93 80.0 6.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.521 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 45.8 mt -98.54 -24.11 15.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.0 t -56.34 -37.2 69.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.4 m -53.82 -28.38 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.792 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 30.4 m-70 -68.31 161.59 27.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 124' ' ' GLU . 67.5 mt -89.28 -33.38 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.792 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 4.9 p-90 -81.82 19.07 1.14 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -114.92 95.59 5.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.722 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -94.73 39.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.111 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.08 -150.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 54' ' ' GLN . 53.8 Cg_endo -69.74 94.73 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.358 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.503 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 33.8 ttp -127.22 144.16 51.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -81.64 172.37 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.585 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 44.5 ttp180 -62.32 -57.95 9.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.75 -50.05 4.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -50.7 -56.94 11.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.48 -40.13 77.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.73 0.3 . . . . 0.0 111.071 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.707 ' HA ' HG21 ' A' ' 72' ' ' VAL . 21.0 mt-10 -66.78 -24.21 66.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.7 t -94.33 -24.18 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.503 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 40.5 mt -76.3 -52.37 17.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.63 HD12 HG13 ' A' ' 72' ' ' VAL . 20.2 mt -75.77 -11.02 59.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.6 -50.06 44.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -85.16 -31.27 23.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.528 ' HD2' HG21 ' A' ' 49' ' ' THR . 85.9 mmt-85 -46.81 172.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.1 m -96.21 137.07 35.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -37.9 123.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.463 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 113.87 -20.26 17.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.523 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.603 ' O ' HD22 ' A' ' 42' ' ' LEU . 20.4 m -65.26 99.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.848 0.356 . . . . 0.0 111.134 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.728 ' CD2' HD12 ' A' ' 118' ' ' LEU . 26.1 p90 -88.32 153.51 21.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.809 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -153.38 128.6 9.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.955 HG22 HG12 ' A' ' 64' ' ' ILE . 12.0 t -94.41 130.74 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.5 ptt85 -127.91 112.17 14.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.595 ' HG3' ' CE2' ' A' ' 62' ' ' PHE . 8.5 tt0 -76.43 120.34 21.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 54' ' ' GLN . 0.9 OUTLIER -46.46 176.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.599 ' O ' HG23 ' A' ' 56' ' ' VAL . 33.7 m -111.12 60.36 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -149.17 169.96 19.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -33.91 -76.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.845 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.17 -19.08 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.068 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.589 ' HB1' ' HG2' ' A' ' 54' ' ' GLN . . . 48.05 54.76 9.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.509 ' C ' ' O ' ' A' ' 60' ' ' ALA . 5.8 pt-20 -28.92 108.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.615 ' HB3' HD12 ' A' ' 77' ' ' ILE . 53.4 m-85 -67.0 154.37 41.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.73 134.93 11.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.955 HG12 HG22 ' A' ' 52' ' ' VAL . 20.1 mt -105.5 111.74 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 24.9 m -108.83 131.91 54.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.676 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -134.73 169.1 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -92.28 115.76 28.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.583 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 10.5 t80 -144.65 142.3 30.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.896 ' O ' HG22 ' A' ' 70' ' ' VAL . 8.2 t-20 50.83 34.06 9.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.896 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 64.87 24.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.1 pt-20 -142.23 140.89 32.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.707 HG21 ' HA ' ' A' ' 39' ' ' GLU . 96.5 t -82.68 97.63 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 65' ' ' SER . 22.3 mmtt -83.16 152.41 25.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.585 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 50.6 m-70 -113.97 148.19 37.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.598 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.528 HG22 HG21 ' A' ' 86' ' ' ILE . 4.5 mm -122.5 101.84 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.113 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -62.9 123.32 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.615 HD12 ' HB3' ' A' ' 62' ' ' PHE . 81.5 mt -100.4 131.8 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.7 mtm -111.73 139.13 47.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.465 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.2 p -109.29 129.34 55.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.74 129.77 18.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 62.96 25.33 15.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.01 1.27 89.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.551 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . 7.8 mt -100.85 163.8 12.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.465 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 97.2 m-85 -115.41 127.02 55.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.758 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 8.6 ptt180 -163.48 125.64 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.548 HD11 ' SG ' ' A' ' 110' ' ' CYS . 11.7 pt -67.78 -21.03 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.456 ' CG2' ' SG ' ' A' ' 110' ' ' CYS . 6.4 t -132.19 147.37 52.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -77.91 44.84 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.85 -36.2 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.64 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -155.72 130.37 9.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.758 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -115.31 142.88 46.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.64 ' CZ ' ' HG2' ' A' ' 90' ' ' LYS . 1.2 m-85 -122.05 169.54 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.404 ' CD ' ' H ' ' A' ' 93' ' ' ARG . 2.1 mpt_? -59.19 -55.81 30.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.23 174.45 23.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.1 mm? -46.21 -55.58 6.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 95' ' ' LEU . 3.3 m -32.94 -47.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -75.95 -61.08 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.692 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.7 tm? -38.5 -46.71 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.815 HG13 ' HG ' ' A' ' 118' ' ' LEU . 31.3 t -70.09 -44.14 78.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 103' ' ' GLN . 3.1 mt-10 -52.13 -36.78 52.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.623 ' CD2' ' ND2' ' A' ' 105' ' ' ASN . 35.3 t80 -71.32 -57.6 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.72 ' HB3' HD21 ' A' ' 107' ' ' LEU . 19.8 m-85 -56.22 -12.89 1.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.509 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 20.5 mt-30 -76.39 -19.82 57.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 101' ' ' PHE . 1.4 pt20 -110.55 -15.98 13.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.623 ' ND2' ' CD2' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -123.63 129.4 51.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.718 ' HA ' HG23 ' A' ' 117' ' ' THR . 48.2 t -51.9 141.05 18.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.72 HD21 ' HB3' ' A' ' 102' ' ' TYR . 1.3 mm? -74.01 -14.74 61.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 18.5 pttp -42.29 -49.04 5.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.481 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 32.9 t0 -34.34 -42.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.548 ' SG ' HD11 ' A' ' 86' ' ' ILE . 3.8 m -90.05 -33.28 16.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 108' ' ' LYS . 83.0 m-85 -135.0 81.74 1.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -42.86 -37.13 1.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 81.1 p -67.2 -35.42 79.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 111' ' ' PHE . 15.3 tp -101.42 96.4 7.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.22 74.41 1.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.583 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 7.9 t -136.42 167.37 21.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.718 HG23 ' HA ' ' A' ' 106' ' ' SER . 0.8 OUTLIER -134.62 151.96 51.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.815 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.7 mm? -60.62 87.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.463 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 7.4 mt-30 -68.13 -73.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.441 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -143.7 155.18 59.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.657 0.741 . . . . 0.0 110.853 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.476 ' O ' HG23 ' A' ' 49' ' ' THR . 53.9 Cg_endo -69.75 174.6 9.26 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.313 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.722 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 9.3 p90 -90.86 -41.47 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.831 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 23.9 mttt -61.32 -24.88 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.4 tt0 -31.81 127.16 0.33 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 126' ' ' GLU . 54.0 Cg_endo -69.72 168.19 22.2 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.738 2.292 . . . . 0.0 112.348 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 125' ' ' PRO . 5.8 tp10 -34.29 141.66 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -72.59 94.89 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -123.44 -60.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.2 t -129.47 127.44 40.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 6.6 tt -90.27 147.26 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.4 t -168.29 130.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 35.5 mtp180 -67.22 134.48 51.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 56.5 m -109.5 163.23 13.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 159.9 -154.21 25.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 94.16 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.72 2.28 . . . . 0.0 112.366 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.9 t -69.19 -59.06 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.4 t 44.03 42.0 4.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.859 0.361 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.9 p -59.65 -32.58 70.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.5 m -54.38 -21.94 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.611 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 24.7 m-70 -75.23 159.5 31.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 124' ' ' GLU . 72.5 mt -86.26 -32.01 21.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.611 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.1 p-90 -84.86 18.58 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -111.97 95.45 5.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.78 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -101.69 35.85 2.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 34.25 -151.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 88.55 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.362 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.509 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 29.2 ttp -112.54 140.04 47.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -78.18 149.1 33.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 36' ' ' ALA . 32.7 ttp180 -41.49 -61.37 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . -35.03 -58.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.67 -62.45 3.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.562 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -52.76 -33.91 50.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.708 0.289 . . . . 0.0 111.05 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.782 ' HA ' HG21 ' A' ' 72' ' ' VAL . 59.3 mt-10 -75.22 -27.09 59.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.7 t -94.37 -17.94 22.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.509 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 16.8 mt -81.36 -54.49 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.664 HD11 HD23 ' A' ' 51' ' ' LEU . 18.2 mt -78.14 -13.05 60.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -50.56 -47.7 57.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -87.15 -31.52 20.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.423 ' HD2' HG21 ' A' ' 49' ' ' THR . 17.9 mmt180 -48.22 177.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -98.07 137.1 37.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -37.44 127.82 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.447 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 111.75 -20.3 22.54 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.423 HG21 ' HD2' ' A' ' 45' ' ' ARG . 14.4 m -65.23 104.52 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 111.128 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.644 ' HB2' HG22 ' A' ' 66' ' ' ILE . 22.6 p90 -94.96 154.96 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.664 HD23 HD11 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -153.21 129.68 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.549 HG22 HG12 ' A' ' 64' ' ' ILE . 21.0 t -99.93 128.68 51.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.0 ptt85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.551 ' HB3' HD12 ' A' ' 77' ' ' ILE . 60.3 m-85 . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.37 136.44 21.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.059 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.919 HG13 HD11 ' A' ' 77' ' ' ILE . 59.3 mt -103.99 124.06 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 9.3 t -127.81 131.67 49.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.663 HD13 ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -137.47 168.87 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -88.47 112.71 23.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.593 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 20.0 t80 -144.23 144.17 31.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.823 ' O ' HG22 ' A' ' 70' ' ' VAL . 7.3 t-20 51.32 32.68 8.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.827 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.8 OUTLIER 63.97 24.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 5.0 pt-20 -143.41 137.58 28.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.782 HG21 ' HA ' ' A' ' 39' ' ' GLU . 58.0 t -78.03 96.62 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 65' ' ' SER . 26.2 mmtt -82.84 157.66 23.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -133.28 148.02 51.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 109.565 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.579 HG23 ' CE2' ' A' ' 111' ' ' PHE . 15.9 mt -131.24 134.12 61.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.116 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -77.09 141.31 40.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.919 HD11 HG13 ' A' ' 64' ' ' ILE . 96.7 mt -112.87 115.59 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.4 mtm -93.91 139.52 30.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 p -116.96 132.25 56.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.85 123.43 12.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 64.31 25.01 13.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.01 -12.53 68.81 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.625 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 4.2 mt -83.3 154.45 24.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.807 0.337 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -116.02 127.97 55.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.76 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 3.3 ptt180 -162.1 132.03 4.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.47 HD13 HG21 ' A' ' 75' ' ' ILE . 6.1 pt -72.71 -22.35 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.407 HG23 ' HB2' ' A' ' 89' ' ' LYS . 7.9 t -134.4 151.35 51.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -77.78 46.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' HB2' HG23 ' A' ' 87' ' ' THR . 24.6 mmtt -108.51 -44.66 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.578 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.8 tmtt? -156.65 128.11 7.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.76 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -104.9 156.76 17.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.611 ' CE1' HD23 ' A' ' 98' ' ' LEU . 3.1 m-85 -133.46 163.58 29.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 37.5 mmt-85 -49.96 -49.22 51.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.475 ' N ' ' OE1' ' A' ' 97' ' ' GLU . . . -157.47 179.95 32.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.5 mm? -45.22 -62.56 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.1 m -34.84 -46.28 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 94' ' ' GLY . 25.4 mp0 -72.01 -57.15 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.611 HD23 ' CE1' ' A' ' 92' ' ' PHE . 1.7 tm? -47.97 -57.51 5.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.926 HG13 ' HG ' ' A' ' 118' ' ' LEU . 95.5 t -56.92 -49.53 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.423 ' HA ' ' CD ' ' A' ' 103' ' ' GLN . 4.4 mt-10 -51.24 -33.74 29.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.528 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 79.6 t80 -70.34 -51.79 27.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.552 ' CB ' HD23 ' A' ' 118' ' ' LEU . 10.2 m-85 -61.11 -25.29 66.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.423 ' CD ' ' HA ' ' A' ' 100' ' ' GLU . 74.9 mt-30 -56.02 -13.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -117.41 -22.82 8.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -119.25 131.62 55.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.477 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 4.6 t -59.17 154.84 15.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.451 HD12 HD13 ' A' ' 86' ' ' ILE . 1.7 mm? -79.3 -11.0 59.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -43.32 -33.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -45.05 -40.51 6.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.4 t -96.39 -33.64 11.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.579 ' CE2' HG23 ' A' ' 75' ' ' ILE . 99.1 m-85 -133.67 82.2 1.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -39.88 -32.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.444 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 14.4 t -69.07 -41.01 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 111' ' ' PHE . 10.9 tp -92.32 91.0 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.97 73.92 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.593 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 11.8 t -129.99 -178.84 4.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.477 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 6.8 p -149.01 145.75 27.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.926 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.6 mm? -59.37 100.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.447 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 12.8 mt-30 -85.45 -72.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -141.54 151.86 61.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.678 0.751 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.0 Cg_endo -69.81 162.97 40.04 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.65 2.233 . . . . 0.0 112.319 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.78 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 16.1 p90 -74.97 -37.74 61.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.598 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 13.8 mtmt -67.87 -23.97 65.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.463 ' HA ' HD13 ' A' ' 27' ' ' LEU . 1.8 tt0 -33.68 126.77 0.44 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.138 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.546 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 73.3 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.823 0.344 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.3 t -62.28 -36.89 83.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.7 m -53.11 -22.9 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.142 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.546 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 39.3 m-70 -75.81 158.9 31.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.571 HD13 ' HA ' ' A' ' 124' ' ' GLU . 76.6 mt -86.77 -32.17 20.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 8.1 p-90 -84.99 20.09 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 23' ' ' LEU . 13.4 t80 -112.62 97.76 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.744 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -104.69 33.24 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.91 -152.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 87.68 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.649 2.232 . . . . 0.0 112.358 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.419 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 31.6 ttp -111.83 145.63 39.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -74.09 168.53 19.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -63.76 -52.42 60.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.57 -46.07 38.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.61 -56.45 15.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.457 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.636 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -61.25 -38.22 85.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.72 0.295 . . . . 0.0 111.08 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.814 ' HA ' HG21 ' A' ' 72' ' ' VAL . 17.9 mt-10 -69.97 -24.32 63.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.7 m -95.48 -26.19 15.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.419 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 48.7 mt -73.87 -54.84 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.54 HD12 HG13 ' A' ' 72' ' ' VAL . 23.2 mt -74.07 -12.28 60.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -48.63 -52.87 20.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -82.77 -31.41 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.481 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 11.5 mmt-85 -46.61 170.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.3 m -94.62 136.12 35.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 46' ' ' SER . 38.6 t70 -35.67 126.85 0.66 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.457 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 110.57 -19.09 26.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.455 ' O ' HD22 ' A' ' 42' ' ' LEU . 12.3 m -65.26 102.0 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 111.168 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.821 ' CD2' HD12 ' A' ' 118' ' ' LEU . 23.5 p90 -91.22 153.99 19.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.822 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -151.49 127.22 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.939 HG22 HG12 ' A' ' 64' ' ' ILE . 18.9 t -98.35 133.37 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.433 ' HD3' HD11 ' A' ' 51' ' ' LEU . 39.4 ptt85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.664 ' HB3' HD12 ' A' ' 77' ' ' ILE . 73.6 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.882 0.373 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.2 129.63 12.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.939 HG12 HG22 ' A' ' 52' ' ' VAL . 17.6 mt -99.78 133.06 44.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.1 m -137.0 125.86 24.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.689 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -128.68 164.8 29.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.447 ' HE3' ' C ' ' A' ' 70' ' ' VAL . 21.6 tptt -84.18 115.23 22.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.573 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 22.8 t80 -145.38 140.77 27.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.871 ' O ' HG22 ' A' ' 70' ' ' VAL . 15.5 t30 52.13 30.51 7.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.871 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 65.42 24.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -141.42 129.19 21.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.814 HG21 ' HA ' ' A' ' 39' ' ' GLU . 95.2 t -74.76 99.27 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.62 ' NZ ' HD13 ' A' ' 114' ' ' LEU . 6.8 mmtp -83.39 157.28 22.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -129.31 143.5 50.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.594 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.492 HG21 HD13 ' A' ' 86' ' ' ILE . 17.8 mt -129.2 128.96 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.11 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.437 ' O ' HG22 ' A' ' 86' ' ' ILE . 13.8 ttmm -75.28 138.02 41.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.691 HD11 HG13 ' A' ' 64' ' ' ILE . 91.3 mt -109.03 104.08 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 mtm -78.62 157.17 28.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 83' ' ' LEU . 2.2 p -132.22 143.4 49.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -158.72 126.03 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 63.86 24.96 13.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.51 18.98 62.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.537 ' O ' HG22 ' A' ' 79' ' ' THR . 6.3 mt -109.59 166.25 11.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -126.8 123.23 36.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.538 ' NE ' ' HB2' ' A' ' 91' ' ' ALA . 20.4 ptt180 -161.67 126.33 3.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.531 HG12 ' CE2' ' A' ' 102' ' ' TYR . 4.7 pt -63.98 -24.57 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.0 t -135.83 153.75 51.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.441 ' CD ' ' H ' ' A' ' 88' ' ' GLU . 2.7 pm0 -79.22 43.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.404 ' HA ' ' CE ' ' A' ' 89' ' ' LYS . 2.4 mmpt? -104.18 -37.3 7.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.435 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 20.7 tptt -163.01 119.94 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.538 ' HB2' ' NE ' ' A' ' 85' ' ' ARG . . . -98.0 153.39 18.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' A' ' 101' ' ' PHE . 3.6 m-85 -131.84 160.41 35.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -53.91 -43.06 69.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.34 -178.44 27.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.502 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.481 HD11 HD13 ' A' ' 77' ' ' ILE . 1.5 mm? -56.85 -61.33 2.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.372 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.458 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.9 m -32.82 -42.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -77.9 -57.76 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.559 HD11 ' HE2' ' A' ' 102' ' ' TYR . 2.5 tm? -45.69 -50.56 13.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.831 HG13 ' HG ' ' A' ' 118' ' ' LEU . 45.4 t -61.46 -44.16 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -50.94 -44.72 60.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.509 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 33.8 t80 -62.31 -42.63 99.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.559 ' HE2' HD11 ' A' ' 98' ' ' LEU . 11.4 m-85 -69.92 -23.03 63.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.533 HE21 HG12 ' A' ' 99' ' ' VAL . 73.5 mt-30 -67.2 -9.52 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.504 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.6 pt20 -118.23 -18.79 9.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.504 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 15.6 m-80 -121.72 144.49 48.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.8 m -70.7 139.78 51.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.409 HD12 HD13 ' A' ' 75' ' ' ILE . 2.2 mm? -63.58 -11.16 22.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.936 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -42.26 -33.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -44.81 -41.03 6.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.9 t -95.57 -35.33 11.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 114' ' ' LEU . 86.1 m-85 -134.35 86.3 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.815 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -43.09 -44.45 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.3 p -57.98 -34.42 69.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.62 HD13 ' NZ ' ' A' ' 73' ' ' LYS . 16.1 tp -100.95 95.3 6.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.98 80.27 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.573 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 9.9 t -131.73 -179.39 5.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 27.2 p -147.87 153.32 38.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.831 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.2 mm? -66.81 89.57 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.457 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.5 mt-30 -70.88 -72.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.434 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 1.0 OUTLIER -142.79 154.38 62.41 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.638 0.732 . . . . 0.0 110.896 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 54.2 Cg_endo -69.76 167.03 25.6 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.385 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.744 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 15.1 p90 -80.75 -38.87 27.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.604 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 18.2 mttm -65.2 -26.12 68.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.571 ' HA ' HD13 ' A' ' 27' ' ' LEU . 2.5 tt0 -31.65 128.03 0.31 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.731 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.339 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.575 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 97.5 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.817 0.342 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.538 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 11.2 t -58.59 -33.8 70.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.1 m -57.24 -19.16 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.635 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 27.8 m-70 -76.35 159.44 30.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.56 HD13 ' HA ' ' A' ' 124' ' ' GLU . 84.5 mt -84.47 -35.0 23.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.635 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 7.6 p-90 -81.92 19.19 1.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 24' ' ' SER . 22.2 t80 -114.23 94.81 4.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.933 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.796 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -98.27 36.16 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.136 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.32 -151.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.51 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 109.71 2.38 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.45 ' CE ' ' CD1' ' A' ' 41' ' ' ILE . 21.7 ttp -136.82 147.47 46.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -79.06 170.14 17.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ALA . 25.4 ttm180 -59.51 -62.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . -36.98 -58.06 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -42.48 -61.88 2.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.52 -45.92 56.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.738 0.304 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.575 ' HA ' HG11 ' A' ' 72' ' ' VAL . 21.8 mt-10 -66.35 -22.5 66.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.9 t -93.71 -19.6 20.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.948 HG22 HD13 ' A' ' 42' ' ' LEU . 45.9 mt -73.39 -59.27 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.981 HD21 HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -77.37 -2.48 35.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.85 -40.4 63.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -99.83 -26.51 14.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.472 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 27.0 mmm180 -52.95 171.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.77 141.41 28.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -40.44 122.05 1.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.429 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 117.95 -19.27 11.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 m -65.13 114.02 4.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 111.159 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.877 ' CD2' HD12 ' A' ' 118' ' ' LEU . 15.8 p90 -107.51 152.26 24.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.981 HD23 HD21 ' A' ' 42' ' ' LEU . 1.1 pp -152.92 130.76 11.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.822 HG22 HG12 ' A' ' 64' ' ' ILE . 21.9 t -97.61 145.32 9.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.1 ptt85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.874 0.369 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.95 136.3 12.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.822 HG12 HG22 ' A' ' 52' ' ' VAL . 21.1 mt -105.27 132.98 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.6 m -135.02 131.75 37.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.756 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -135.77 168.82 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 13.9 tptm -85.29 116.57 23.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.574 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 13.1 t80 -145.18 138.05 26.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.888 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER 51.5 31.71 7.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.888 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 65.94 25.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 68' ' ' TYR . 3.2 pt-20 -141.46 130.7 23.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.575 HG11 ' HA ' ' A' ' 39' ' ' GLU . 69.9 t -74.71 100.02 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -83.37 157.59 22.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.449 ' CE1' ' HG2' ' A' ' 39' ' ' GLU . 7.7 m-70 -131.15 143.56 50.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.575 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.508 HG21 HD12 ' A' ' 86' ' ' ILE . 35.4 mt -127.22 130.29 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.111 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.429 ' O ' HG22 ' A' ' 86' ' ' ILE . 24.8 ttpt -76.73 136.5 39.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.767 HD11 HG13 ' A' ' 64' ' ' ILE . 96.5 mt -112.49 122.48 66.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 mtm -98.32 156.88 16.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.6 p -130.07 141.43 50.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.172 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.44 ' O ' HD12 ' A' ' 83' ' ' LEU . . . -159.49 126.65 4.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 64.21 25.02 13.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.8 21.53 59.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.591 ' O ' HG22 ' A' ' 79' ' ' THR . 4.3 mt -112.56 169.35 8.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.49 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 46.3 m-85 -132.51 122.79 25.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.719 ' NE ' ' HB2' ' A' ' 91' ' ' ALA . 21.5 ptt180 -161.32 132.59 5.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.508 HD12 HG21 ' A' ' 75' ' ' ILE . 19.2 pt -71.68 -20.14 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.2 t -135.88 148.56 48.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.42 ' CD ' ' H ' ' A' ' 88' ' ' GLU . 1.4 pm0 -78.01 46.46 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -112.49 -41.17 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -152.09 120.68 6.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.719 ' HB2' ' NE ' ' A' ' 85' ' ' ARG . . . -105.15 150.5 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.623 ' CE1' HD23 ' A' ' 98' ' ' LEU . 4.9 m-85 -127.79 158.08 38.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -49.1 -43.4 41.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.52 176.83 34.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.49 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.1 mm? -49.54 -57.56 6.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.458 ' C ' ' O ' ' A' ' 95' ' ' LEU . 5.5 m -33.17 -44.62 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.412 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 6.1 mm-40 -75.54 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.623 HD23 ' CE1' ' A' ' 92' ' ' PHE . 1.8 tm? -43.86 -50.31 7.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.82 HG13 ' HG ' ' A' ' 118' ' ' LEU . 55.5 t -65.62 -46.85 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -55.66 -34.08 64.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.41 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 53.7 t80 -69.19 -50.05 51.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.509 ' CB ' HD23 ' A' ' 118' ' ' LEU . 9.7 m-85 -62.47 -26.01 68.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.41 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 73.3 mt-30 -56.8 -14.05 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -115.23 -25.34 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.479 ' O ' HG22 ' A' ' 117' ' ' THR . 0.6 OUTLIER -116.8 140.01 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.692 ' HA ' HG23 ' A' ' 117' ' ' THR . 9.1 t -70.78 141.92 51.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.416 ' N ' ' CD2' ' A' ' 107' ' ' LEU . 1.5 mm? -65.49 -7.09 12.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.9 pttt -42.55 -42.39 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -43.59 -48.93 7.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.432 ' SG ' HD11 ' A' ' 86' ' ' ILE . 3.8 m -80.27 -38.38 31.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' A' ' 114' ' ' LEU . 83.3 m-85 -134.35 87.48 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -42.79 -30.77 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.433 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 47.7 t -72.87 -36.84 67.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 111' ' ' PHE . 6.2 tp -95.78 89.53 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -99.19 74.65 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.574 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 6.1 t -133.36 -177.85 4.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.692 HG23 ' HA ' ' A' ' 106' ' ' SER . 1.1 p -149.99 158.49 44.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.877 HD12 ' CD2' ' A' ' 50' ' ' PHE . 2.1 mm? -70.25 93.82 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.429 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.2 mt-30 -75.46 -72.05 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -141.54 149.63 54.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.667 0.746 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.9 Cg_endo -69.74 171.13 15.01 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.697 2.264 . . . . 0.0 112.369 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.796 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 11.7 p90 -87.95 -42.52 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.603 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 15.7 mttm -60.41 -24.86 65.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.56 ' HA ' HD13 ' A' ' 27' ' ' LEU . 3.2 tm-20 -33.0 133.72 0.3 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.627 0.727 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.143 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.562 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 94.9 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.403 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 48.2 t -58.61 -36.06 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.8 m -53.93 -31.97 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.67 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 22.6 m-70 -64.01 164.2 10.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' A' ' 124' ' ' GLU . 83.3 mt -89.72 -33.92 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.67 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.9 p-90 -82.53 19.41 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.55 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 12.2 t80 -115.24 94.48 4.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.716 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -92.17 26.39 2.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.99 -144.98 0.38 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 94.07 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.651 2.234 . . . . 0.0 112.327 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.496 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 33.6 ttp -128.8 140.16 51.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -80.35 167.62 20.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.438 ' NH1' ' HB3' ' A' ' 35' ' ' ARG . 17.3 ttp-105 -54.07 -56.65 16.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 37' ' ' GLY . . . -40.41 -65.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.06 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' ALA . . . -37.16 -51.91 1.64 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.59 99.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.741 0.305 . . . . 0.0 111.094 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.941 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 21.0 mt-10 -69.37 -22.96 63.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.5 t -95.48 -24.42 16.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.496 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 21.3 mt -79.26 -55.82 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.536 HD13 ' HA ' ' A' ' 66' ' ' ILE . 23.6 mt -75.88 -17.0 59.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.941 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -50.8 -47.18 59.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -86.54 -32.51 20.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.469 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 11.6 mmp_? -47.52 175.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.08 136.79 33.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -38.83 127.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.451 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 112.44 -20.99 20.19 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.0 m -65.21 107.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 111.183 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.799 ' CD2' HD12 ' A' ' 118' ' ' LEU . 20.5 p90 -97.25 153.1 18.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.809 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -151.21 128.22 11.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.805 HG22 HG12 ' A' ' 64' ' ' ILE . 24.3 t -94.83 121.68 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.438 HH21 ' CG ' ' A' ' 74' ' ' HIS . 21.6 ptt85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.605 ' HB3' HD12 ' A' ' 77' ' ' ILE . 42.3 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.89 0.376 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.431 ' N ' HD12 ' A' ' 77' ' ' ILE . . . -157.51 136.66 11.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.049 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.805 HG12 HG22 ' A' ' 52' ' ' VAL . 13.1 mt -103.14 106.72 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -107.58 132.15 53.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.69 HD13 ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -138.1 164.98 26.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.137 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.457 ' NZ ' ' O ' ' A' ' 43' ' ' ALA . 19.3 tptm -86.93 112.88 22.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -143.9 145.5 32.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.918 ' O ' HG22 ' A' ' 70' ' ' VAL . 19.7 t30 51.51 31.85 8.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.918 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.05 25.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.2 pt-20 -144.11 140.35 29.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.69 HG21 ' HA ' ' A' ' 39' ' ' GLU . 62.1 t -79.68 96.85 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -83.27 153.48 24.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.438 ' CG ' HH21 ' A' ' 53' ' ' ARG . 24.8 m-70 -119.03 143.76 46.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.617 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.413 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 3.7 mm -122.77 104.41 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -59.51 136.14 57.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.605 HD12 ' HB3' ' A' ' 62' ' ' PHE . 95.7 mt -112.52 127.04 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.9 mtm -104.73 139.45 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 p -116.98 138.3 51.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.184 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -154.99 129.97 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 62.39 25.05 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.27 9.88 83.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.8 mt -103.89 160.09 15.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.476 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 81.9 m-85 -116.87 126.19 52.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.536 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 38.2 ptt85 -161.73 134.91 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.436 HG22 HG12 ' A' ' 77' ' ' ILE . 5.0 pt -79.21 -15.86 13.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.1 t -143.86 151.52 39.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.52 46.18 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.48 ' CE ' ' HB2' ' A' ' 109' ' ' ASP . 17.6 mtmm -113.06 -35.72 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 25.0 tptt -159.8 128.91 5.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.536 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -110.87 150.58 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 90' ' ' LYS . 5.3 m-85 -129.21 162.94 26.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -55.53 -44.74 76.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.3 177.77 31.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.476 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.3 mm? -51.02 -58.43 6.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.3 m -32.75 -46.55 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -74.84 -61.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.672 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.5 tm? -40.15 -49.12 2.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.959 HG13 ' HG ' ' A' ' 118' ' ' LEU . 58.9 t -65.1 -44.08 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -50.66 -45.9 58.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -62.22 -45.76 91.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.672 ' CE2' HD21 ' A' ' 98' ' ' LEU . 10.9 m-85 -69.04 -21.74 64.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.458 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 75.9 mt-30 -69.41 -11.31 60.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.482 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.7 pt20 -116.77 -19.02 10.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.585 ' O ' HG22 ' A' ' 117' ' ' THR . 13.8 m-80 -122.92 147.3 46.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.65 ' HA ' HG23 ' A' ' 117' ' ' THR . 3.8 m -64.27 147.89 51.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.603 HD21 ' HB3' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -77.88 -12.47 59.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.912 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -41.63 -37.03 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.48 ' HB2' ' CE ' ' A' ' 89' ' ' LYS . 12.0 p-10 -37.74 -40.57 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 5.6 t -95.88 -33.53 12.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 114' ' ' LEU . 92.1 m-85 -131.68 80.72 1.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -41.16 -30.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.451 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 66.7 m -73.44 -38.57 65.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 111' ' ' PHE . 25.3 tp -98.28 96.87 8.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -101.21 75.88 1.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 117' ' ' THR . 14.8 t -123.62 -173.96 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.65 HG23 ' HA ' ' A' ' 106' ' ' SER . 1.8 p -155.8 144.75 20.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.959 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.7 mm? -58.13 96.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.451 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.6 mt-30 -78.08 -74.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.439 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -141.4 152.37 63.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.667 0.746 . . . . 0.0 110.856 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.8 Cg_endo -69.75 161.02 47.55 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.352 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.716 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 11.3 p90 -74.52 -35.43 63.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.611 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 18.2 mttm -70.19 -24.17 63.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.479 ' HA ' HD13 ' A' ' 27' ' ' LEU . 3.3 tm-20 -32.12 134.64 0.26 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.71 0.767 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.729 2.286 . . . . 0.0 112.311 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.567 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 52.1 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.834 0.349 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 t -58.27 -34.23 70.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.0 m -55.62 -27.3 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.15 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.576 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 31.4 m-70 -68.0 177.07 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 124' ' ' GLU . 80.0 mt -99.26 -50.97 3.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.576 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 1.2 p-90 -59.78 -25.63 65.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.473 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 15.7 t80 -67.79 114.05 6.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.725 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -118.42 37.7 3.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 37.47 -153.23 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 90.8 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.452 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 19.8 ttp -116.51 138.88 51.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.98 162.98 28.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.503 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 4.7 tmm_? -58.97 -53.87 53.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.503 ' N ' ' HD2' ' A' ' 35' ' ' ARG . . . -50.81 -48.93 59.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.92 -51.55 10.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.568 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -62.78 -36.78 84.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.312 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.674 ' HA ' HG21 ' A' ' 72' ' ' VAL . 23.2 mt-10 -69.6 -22.42 63.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.9 t -94.65 -28.52 15.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.452 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 35.0 mt -73.95 -53.3 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.539 ' HG ' HD23 ' A' ' 51' ' ' LEU . 31.4 mt -75.61 -11.08 59.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -47.13 -57.66 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -78.62 -33.24 47.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 27.1 mmt180 -43.41 165.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.2 m -90.04 136.81 32.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.1 p-10 -36.9 126.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.828 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.458 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 111.43 -19.69 23.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.511 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.466 ' O ' HD22 ' A' ' 42' ' ' LEU . 20.1 m -65.68 100.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 111.16 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.819 ' CD2' HD12 ' A' ' 118' ' ' LEU . 23.4 p90 -89.59 157.64 17.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.814 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -154.77 133.78 12.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.527 HG22 HG12 ' A' ' 64' ' ' ILE . 22.1 t -105.12 145.38 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.678 HH21 ' HD1' ' A' ' 74' ' ' HIS . 14.0 ptt85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.7 ' HB3' HD12 ' A' ' 77' ' ' ILE . 83.5 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.857 0.36 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.93 130.42 20.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.755 HG13 HD11 ' A' ' 77' ' ' ILE . 33.5 mt -97.78 122.01 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.458 ' O ' HD11 ' A' ' 42' ' ' LEU . 6.1 m -128.65 123.82 34.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.701 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -127.87 168.64 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -87.96 117.59 26.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.553 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 17.4 t80 -145.1 141.35 28.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.908 ' O ' HG22 ' A' ' 70' ' ' VAL . 3.4 t-20 50.87 33.33 8.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.908 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.35 24.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 3.0 pt-20 -141.42 136.44 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.674 HG21 ' HA ' ' A' ' 39' ' ' GLU . 85.2 t -81.03 99.92 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -82.96 157.25 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.678 ' HD1' HH21 ' A' ' 53' ' ' ARG . 64.7 m-70 -128.12 142.94 51.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.586 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.7 mt -132.47 124.79 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.49 ' O ' HG22 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -73.75 148.26 42.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.755 HD11 HG13 ' A' ' 64' ' ' ILE . 88.2 mt -116.07 109.06 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mtm -80.83 137.94 36.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.534 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.4 p -119.05 137.75 53.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.154 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.01 127.75 6.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 64.79 25.27 12.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.1 6.17 86.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.408 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 6.9 mt -99.31 161.36 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.534 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 76.0 m-85 -125.69 124.87 42.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.676 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 19.9 ptt85 -162.05 123.89 2.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 76' ' ' LYS . 43.0 pt -62.76 -21.0 26.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.0 t -136.79 152.6 50.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -81.54 45.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -112.82 -36.13 5.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.481 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 23.5 tptt -155.24 120.83 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.676 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -103.36 151.71 22.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.481 ' CZ ' ' HG2' ' A' ' 90' ' ' LYS . 11.5 m-85 -130.65 159.81 36.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.923 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -57.02 -41.3 78.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.38 176.02 32.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.444 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.477 HD11 HD13 ' A' ' 77' ' ' ILE . 1.4 mm? -53.91 -59.48 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.9 0.381 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 95' ' ' LEU . 4.8 m -32.63 -44.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -76.79 -59.62 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.861 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.4 tm? -42.02 -48.97 4.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.782 HG13 ' HG ' ' A' ' 118' ' ' LEU . 24.4 t -64.3 -45.24 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -50.11 -45.51 52.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.433 ' O ' ' HG3' ' A' ' 104' ' ' GLN . 32.3 t80 -64.19 -42.66 96.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.861 ' CE2' HD21 ' A' ' 98' ' ' LEU . 8.2 m-85 -70.3 -20.01 63.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.506 HE21 HG12 ' A' ' 99' ' ' VAL . 73.4 mt-30 -69.2 -16.01 63.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.948 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.44 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.4 pt20 -110.46 -23.34 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.44 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 11.1 m-80 -116.7 140.76 49.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.692 ' HA ' HG23 ' A' ' 117' ' ' THR . 2.8 m -68.26 145.43 54.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -68.69 -10.57 57.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.9 pttt -41.81 -36.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -49.02 -47.98 44.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.441 ' SG ' HD11 ' A' ' 86' ' ' ILE . 2.8 m -83.33 -40.74 19.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 114' ' ' LEU . 95.0 m-85 -134.75 85.48 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 113' ' ' SER . 1.9 tmtp? -37.8 -62.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.456 ' N ' ' HD3' ' A' ' 112' ' ' LYS . 4.5 m -42.37 -34.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 111' ' ' PHE . 6.9 tp -99.58 91.24 4.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.956 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.72 77.65 1.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.553 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 13.8 t -130.24 -177.8 4.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.692 HG23 ' HA ' ' A' ' 106' ' ' SER . 1.0 OUTLIER -150.16 152.06 34.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.819 HD12 ' CD2' ' A' ' 50' ' ' PHE . 2.1 mm? -67.74 88.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.458 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.4 mt-30 -71.6 -72.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.457 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -141.72 152.05 61.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.62 0.724 . . . . 0.0 110.864 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.4 Cg_endo -69.71 166.56 27.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.366 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.725 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 14.9 p90 -76.56 -37.71 56.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.614 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 8.6 mtmt -71.55 -18.75 62.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.445 ' HA ' HD13 ' A' ' 27' ' ' LEU . 2.3 tm-20 -34.78 133.78 0.42 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.313 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.541 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 62.9 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.762 0.315 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.0 p -57.18 -33.81 67.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.9 m -58.33 -19.47 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 31.9 m-70 -77.72 163.95 25.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 124' ' ' GLU . 67.5 mt -90.14 -35.74 15.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.505 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.4 p-90 -80.36 15.29 1.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.437 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 18.8 t80 -107.66 94.55 5.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.943 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -97.85 35.13 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.23 -153.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.444 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 85.65 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 27.7 ttp -110.72 146.75 35.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -82.86 146.69 28.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -39.96 -55.98 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.27 -61.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.29 -50.24 6.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.448 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -61.0 -37.25 81.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.584 ' HA ' HG21 ' A' ' 72' ' ' VAL . 21.3 mt-10 -74.45 -23.11 58.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.3 t -91.95 -28.57 17.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.792 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.2 mt -74.62 -57.79 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.84 HD12 HG13 ' A' ' 72' ' ' VAL . 31.6 mt -65.69 -22.42 66.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -45.89 -45.51 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' ARG . 55.0 m-80 -88.21 -31.5 19.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.476 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 17.2 mmp_? -49.28 179.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.75 148.96 23.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 11.2 p-10 -50.14 102.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.471 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 132.79 -19.19 4.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.645 ' O ' HD22 ' A' ' 42' ' ' LEU . 42.0 m -64.38 102.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.334 . . . . 0.0 111.09 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.579 ' HB2' HG22 ' A' ' 66' ' ' ILE . 23.5 p90 -88.66 154.89 19.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.656 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -153.18 129.14 10.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.844 HG22 HG12 ' A' ' 64' ' ' ILE . 23.6 t -99.48 141.84 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.52 ' CB ' HD12 ' A' ' 77' ' ' ILE . 60.6 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.811 0.339 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -136.41 130.17 32.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.844 HG12 HG22 ' A' ' 52' ' ' VAL . 44.5 mt -103.11 127.25 57.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.3 m -130.33 133.43 46.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.84 HD13 ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -137.67 168.82 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -89.86 115.42 27.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.568 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 11.8 t80 -144.45 142.51 30.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.896 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.8 t-20 50.88 33.2 8.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.896 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.16 24.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 68' ' ' TYR . 3.9 pt-20 -141.54 141.02 33.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.84 HG13 HD12 ' A' ' 42' ' ' LEU . 63.4 t -84.24 98.81 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.424 ' HE3' HD13 ' A' ' 114' ' ' LEU . 20.1 mmtt -83.63 156.82 22.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -129.5 144.92 51.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.653 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.635 HG21 HD13 ' A' ' 86' ' ' ILE . 19.5 mt -130.39 127.66 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.161 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.38 138.36 36.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.693 HD11 HG13 ' A' ' 64' ' ' ILE . 75.1 mt -109.44 103.76 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.8 mtm -74.74 142.57 44.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.556 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.1 p -116.61 136.5 52.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.67 127.87 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 66.16 25.23 10.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.98 18.04 70.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.469 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 79' ' ' THR . 5.1 mt -113.09 170.89 7.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.775 0.321 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.556 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 78.1 m-85 -132.25 124.97 29.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.951 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.638 ' CZ ' ' HB2' ' A' ' 91' ' ' ALA . 11.0 ptt180 -161.63 124.4 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.635 HD13 HG21 ' A' ' 75' ' ' ILE . 5.6 pt -62.92 -21.56 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.414 ' N ' HG13 ' A' ' 86' ' ' ILE . 6.2 t -135.38 149.51 49.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -79.17 44.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -110.01 -34.99 6.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -160.21 121.53 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.638 ' HB2' ' CZ ' ' A' ' 85' ' ' ARG . . . -102.28 153.11 20.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.521 ' CE1' HD23 ' A' ' 98' ' ' LEU . 7.3 m-85 -130.63 161.86 30.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -55.25 -43.99 75.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.48 -177.11 29.33 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 96' ' ' THR . 0.7 OUTLIER -53.91 -59.81 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.355 . . . . 0.0 110.879 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 95' ' ' LEU . 4.3 m -32.55 -44.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -75.3 -59.59 2.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.684 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.5 tm? -44.39 -51.41 8.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.729 HG13 ' HG ' ' A' ' 118' ' ' LEU . 59.0 t -65.04 -48.02 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -55.78 -33.29 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.473 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 65.2 t80 -71.21 -52.23 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.684 ' CE2' HD21 ' A' ' 98' ' ' LEU . 11.2 m-85 -59.6 -25.07 64.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.944 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -55.99 -13.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.96 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -117.21 -21.42 8.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -119.89 125.69 49.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.472 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 8.6 t -57.5 144.85 35.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.462 HD12 HD13 ' A' ' 75' ' ' ILE . 1.1 mm? -67.15 -10.58 51.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -42.48 -35.38 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -41.4 -43.0 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.2 t -94.64 -30.08 14.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 114' ' ' LEU . 99.1 m-85 -134.68 80.38 1.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.49 -26.3 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 91.0 p -73.57 -38.06 65.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.831 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 111' ' ' PHE . 25.6 tp -95.51 97.87 10.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.48 80.09 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.568 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 14.6 t -141.4 156.88 45.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 17.5 p -126.14 150.28 48.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.729 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.8 mm? -57.43 91.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.471 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.6 mt-30 -71.5 -74.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -142.45 154.13 63.2 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.617 0.722 . . . . 0.0 110.88 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.2 Cg_endo -69.81 171.53 14.35 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.336 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.943 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 26.9 p90 -81.39 -39.95 24.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.615 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 8.7 mtmm -67.96 -21.68 65.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 123' ' ' LYS . 1.7 tt0 -32.37 126.38 0.37 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.631 0.729 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.138 0 C-N-CA 122.69 2.26 . . . . 0.0 112.328 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.565 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 71.9 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.848 0.356 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.6 t -56.74 -36.89 70.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -53.96 -24.32 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.645 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 22.4 m-70 -70.12 158.45 35.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.825 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.514 HD13 ' HA ' ' A' ' 124' ' ' GLU . 69.0 mt -87.25 -33.08 19.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.645 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.1 p-90 -82.98 18.31 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -112.23 97.23 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.575 ' HB2' ' CE1' ' A' ' 122' ' ' PHE . . . -99.9 35.51 2.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.109 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 34.65 -148.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.4 ' HD2' ' HA3' ' A' ' 31' ' ' GLY . 53.8 Cg_endo -69.79 87.76 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.499 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 26.0 ttp -118.0 137.57 52.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -75.01 162.86 28.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 15.2 ttp-105 -55.2 -52.93 61.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.66 -57.38 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.5 -53.25 8.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.53 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -60.07 -36.13 76.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.855 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 25.8 mt-10 -72.38 -27.32 62.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.4 t -93.16 -22.97 18.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.499 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 26.0 mt -78.08 -55.76 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.65 ' CG ' HD23 ' A' ' 51' ' ' LEU . 28.4 mt -76.38 -18.05 59.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.855 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -46.57 -44.45 18.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -88.64 -31.49 18.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.417 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 14.6 mmp_? -48.79 171.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -90.08 137.29 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.82 122.08 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.45 ' CA ' ' HG3' ' A' ' 119' ' ' GLN . . . 116.71 -20.13 12.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.2 m -65.52 105.81 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 111.162 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.61 ' CD2' HD12 ' A' ' 118' ' ' LEU . 25.5 p90 -94.04 150.94 19.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.753 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -148.81 128.28 13.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.731 HG22 HG12 ' A' ' 64' ' ' ILE . 4.0 t -96.83 138.71 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.502 ' HD3' HD11 ' A' ' 51' ' ' LEU . 21.9 ptt85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.547 ' HB3' HD12 ' A' ' 77' ' ' ILE . 60.2 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.861 0.363 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.69 136.47 11.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.088 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.731 HG12 HG22 ' A' ' 52' ' ' VAL . 8.7 mt -106.3 122.28 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 18.9 t -121.73 131.23 53.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.596 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -138.38 162.98 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -85.81 114.56 22.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.557 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 16.7 t80 -144.22 145.9 32.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.89 ' O ' HG22 ' A' ' 70' ' ' VAL . 10.4 t-20 51.35 32.7 8.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.89 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 65.34 25.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.3 pt-20 -143.8 139.1 29.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.562 HG11 ' HA ' ' A' ' 39' ' ' GLU . 99.6 t -78.66 96.63 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 65' ' ' SER . 22.2 mmtt -83.24 153.65 24.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -124.72 147.97 48.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.626 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 64' ' ' ILE . 33.2 mm -119.38 146.24 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.118 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.68 114.8 26.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.595 HD11 HG13 ' A' ' 64' ' ' ILE . 83.0 mt -93.54 126.67 45.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.1 mtm -107.4 159.0 16.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.3 p -134.82 139.75 45.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.83 124.95 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 68.31 25.0 7.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.19 20.88 63.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.519 ' O ' HG22 ' A' ' 79' ' ' THR . 12.5 mt -113.61 167.77 10.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.416 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 54.3 m-85 -128.75 124.38 35.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.432 ' NE ' ' O ' ' A' ' 87' ' ' THR . 0.0 OUTLIER -161.9 131.19 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.571 HG12 ' CE2' ' A' ' 102' ' ' TYR . 3.1 pt -71.33 -11.68 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.432 ' O ' ' NE ' ' A' ' 85' ' ' ARG . 6.3 t -148.33 166.13 28.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.4 37.34 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 89' ' ' LYS . 1.5 mmmp? -98.91 -39.2 8.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.601 ' HE3' ' CE2' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -163.63 121.15 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -96.4 159.88 14.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.604 ' CD1' HD23 ' A' ' 98' ' ' LEU . 7.6 m-85 -137.34 158.35 44.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 56.1 mmt-85 -50.3 -48.64 55.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.96 179.22 30.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.3 mm? -48.96 -63.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 95' ' ' LEU . 20.8 m -32.63 -48.54 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -71.78 -58.33 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.604 HD23 ' CD1' ' A' ' 92' ' ' PHE . 2.0 tm? -43.73 -52.53 6.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.892 HG13 ' HG ' ' A' ' 118' ' ' LEU . 61.2 t -60.4 -45.4 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -48.36 -38.44 19.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.563 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 38.6 t80 -67.89 -56.8 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.571 ' CE2' HG12 ' A' ' 86' ' ' ILE . 13.6 m-85 -58.81 -18.41 31.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.615 ' OE1' HG12 ' A' ' 99' ' ' VAL . 31.9 mt-30 -70.51 -13.67 62.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.489 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 1.3 pt20 -115.55 -22.03 9.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.523 ' O ' HG22 ' A' ' 117' ' ' THR . 8.3 m-80 -121.45 145.72 47.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.512 ' HA ' HG23 ' A' ' 117' ' ' THR . 23.3 t -67.19 143.46 56.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.2 mp -74.19 -7.37 52.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 33.1 pttt -41.68 -36.0 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 109' ' ' ASP . 1.2 t0 -41.6 -43.85 2.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 35.2 t -90.95 -33.41 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 114' ' ' LEU . 94.5 m-85 -133.28 80.6 1.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -39.33 -44.2 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 60.3 p -60.66 -37.37 81.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 111' ' ' PHE . 21.8 tp -99.52 95.09 6.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.27 66.93 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.557 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 13.3 t -118.79 -178.83 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 105' ' ' ASN . 9.4 p -147.47 166.99 25.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.892 ' HG ' HG13 ' A' ' 99' ' ' VAL . 1.7 mm? -77.48 94.87 4.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.45 ' HG3' ' CA ' ' A' ' 48' ' ' GLY . 6.0 mt-30 -75.71 -71.58 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -143.35 153.35 59.16 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 54.2 Cg_endo -69.76 163.31 38.74 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 2.279 . . . . 0.0 112.363 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.606 ' CE1' ' HG3' ' A' ' 123' ' ' LYS . 8.7 p90 -78.59 -41.14 32.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.606 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 21.8 mttm -62.39 -26.28 68.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.514 ' HA ' HD13 ' A' ' 27' ' ' LEU . 3.4 tt0 -31.26 128.39 0.29 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 110.958 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.139 0 C-N-CA 122.691 2.261 . . . . 0.0 112.314 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.591 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 96.3 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.2 m -60.29 -37.66 81.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.4 m -53.5 -20.22 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.609 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 36.9 m-70 -78.8 157.08 28.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 124' ' ' GLU . 62.8 mt -83.55 -33.58 25.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.609 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 7.3 p-90 -82.99 18.95 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.591 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 8.4 t80 -115.06 96.03 5.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB2' ' CE1' ' A' ' 122' ' ' PHE . . . -97.0 37.18 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 34.4 -147.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 94.8 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.366 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.504 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 34.1 ttp -126.59 137.13 53.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -78.27 153.17 32.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.496 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 35.4 ttp180 -43.17 -59.16 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . -37.33 -63.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.97 -54.48 3.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.465 ' HB1' HD21 ' A' ' 51' ' ' LEU . . . -58.2 -38.27 76.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.735 0.302 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.638 ' HA ' HG21 ' A' ' 72' ' ' VAL . 26.2 mt-10 -70.49 -27.85 64.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 t -91.04 -23.94 20.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.504 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 19.2 mt -77.16 -58.44 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.104 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.646 ' CG ' HD23 ' A' ' 51' ' ' LEU . 30.7 mt -68.93 -19.49 64.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.606 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -46.33 -48.28 18.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -86.02 -32.31 21.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.465 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 20.9 mmt180 -47.23 171.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -93.71 135.78 34.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' SER . 3.3 p-10 -37.02 124.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.452 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 113.6 -21.51 16.55 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.445 ' O ' HD22 ' A' ' 42' ' ' LEU . 8.0 m -64.92 106.92 1.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.125 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.865 ' CD2' HD12 ' A' ' 118' ' ' LEU . 21.7 p90 -95.24 156.01 16.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.649 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -152.83 130.71 11.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.761 HG22 HG12 ' A' ' 64' ' ' ILE . 19.6 t -100.65 129.95 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 6.9 ptt-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.546 ' HB3' HD12 ' A' ' 77' ' ' ILE . 56.0 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.414 ' O ' ' NH1' ' A' ' 53' ' ' ARG . . . -156.86 142.87 17.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.761 HG12 HG22 ' A' ' 52' ' ' VAL . 10.4 mt -109.97 111.22 35.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 4.3 t -109.33 131.25 55.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.655 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -138.1 162.7 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.444 ' HE3' ' C ' ' A' ' 70' ' ' VAL . 20.3 tptt -84.44 113.62 21.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.558 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 18.3 t80 -144.43 140.93 29.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.911 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.5 t30 51.87 31.15 7.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.911 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.44 25.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.0 pt-20 -143.11 135.68 27.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.638 HG21 ' HA ' ' A' ' 39' ' ' GLU . 68.0 t -78.26 98.62 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -83.43 156.88 22.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.496 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 49.7 m-70 -119.25 146.95 44.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.59 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.657 ' CG2' HD13 ' A' ' 86' ' ' ILE . 4.1 mm -126.9 97.17 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -56.08 126.18 24.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.546 HD12 ' HB3' ' A' ' 62' ' ' PHE . 95.3 mt -103.23 116.2 46.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 mtm -94.18 142.36 27.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.9 p -120.25 133.98 55.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.16 118.2 9.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 68.46 25.01 6.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.22 -13.93 65.86 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.469 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 7.1 mt -79.16 153.52 30.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -114.49 125.96 54.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.678 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 25.3 ptt85 -162.15 135.94 6.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.657 HD13 ' CG2' ' A' ' 75' ' ' ILE . 5.6 pt -82.25 -14.41 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.8 t -140.48 147.67 39.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -77.66 47.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -112.65 -43.3 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.578 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.4 tmtt? -154.5 121.11 5.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.678 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -99.78 149.22 23.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.038 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.578 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 8.9 m-85 -124.48 166.76 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -59.8 -46.84 87.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.7 179.9 28.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.453 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.3 mm? -52.68 -62.36 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.4 m -32.41 -44.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -75.76 -58.37 3.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.529 HD22 ' O ' ' A' ' 98' ' ' LEU . 1.6 tm? -43.82 -48.25 8.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.919 HG13 ' HG ' ' A' ' 118' ' ' LEU . 57.4 t -64.76 -45.14 96.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -49.73 -44.65 48.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.48 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 43.3 t80 -62.0 -49.4 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.702 ' HB3' HD21 ' A' ' 107' ' ' LEU . 11.3 m-85 -65.57 -23.08 66.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.487 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 79.0 mt-30 -68.61 -11.4 60.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.472 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.1 pt20 -117.8 -20.18 8.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.559 ' O ' HG22 ' A' ' 117' ' ' THR . 12.7 m-80 -123.73 146.02 48.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.535 ' HA ' HG23 ' A' ' 117' ' ' THR . 9.8 t -61.68 147.24 46.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.702 HD21 ' HB3' ' A' ' 102' ' ' TYR . 1.2 mm? -77.45 -11.98 59.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 15.9 pttp -41.93 -34.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 82.3 m-20 -37.98 -38.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.1 t -101.66 -32.19 10.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 114' ' ' LEU . 92.1 m-85 -131.06 80.73 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.9 OUTLIER -41.53 -33.08 0.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.446 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 36.1 t -69.83 -38.36 76.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 111' ' ' PHE . 30.9 tp -96.82 96.39 8.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.944 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.11 71.91 1.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.558 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 10.6 t -125.99 -179.36 4.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.18 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 105' ' ' ASN . 8.0 p -148.44 151.81 35.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.919 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.5 mm? -61.96 96.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.452 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.2 mt-30 -75.97 -72.87 0.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -144.08 153.47 56.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.656 0.741 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.6 Cg_endo -69.77 162.7 41.08 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.241 . . . . 0.0 112.313 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.679 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 8.3 p90 -75.68 -35.94 60.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.607 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 16.3 mtmt -70.35 -23.06 62.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.556 ' HA ' HD13 ' A' ' 27' ' ' LEU . 2.3 tm-20 -32.77 133.43 0.3 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.674 0.75 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.26 . . . . 0.0 112.335 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.514 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 38.0 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.843 0.354 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.418 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 3.0 m -57.96 -32.55 67.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.2 m -53.87 -30.39 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.514 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 27.7 m-70 -65.85 175.08 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.5 mt -96.53 -52.76 3.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.46 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 2.1 p-90 -58.99 -21.89 59.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.461 ' CE1' ' HB2' ' A' ' 23' ' ' LEU . 19.1 t80 -72.08 111.49 7.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.884 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -116.48 35.63 4.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 37.69 -155.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 99.64 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.719 2.279 . . . . 0.0 112.32 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.1 ttp -127.97 139.7 52.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -70.71 160.97 31.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.588 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 29.9 ttp180 -53.6 -50.41 65.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.63 -64.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.27 -51.3 2.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.506 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -63.37 -35.66 81.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.74 0.305 . . . . 0.0 111.1 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.776 ' HA ' HG21 ' A' ' 72' ' ' VAL . 28.2 mt-10 -77.09 -22.93 52.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.4 t -95.15 -24.39 16.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 45' ' ' ARG . 21.9 mt -76.08 -57.19 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.601 HD13 ' HA ' ' A' ' 66' ' ' ILE . 15.1 mt -75.05 -10.92 59.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.629 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -49.26 -50.1 40.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -85.54 -31.66 22.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.637 ' HE ' HG21 ' A' ' 49' ' ' THR . 29.4 mmm180 -47.93 174.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.98 138.4 31.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -40.85 127.48 2.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.476 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 113.0 -20.52 19.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.532 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.637 HG21 ' HE ' ' A' ' 45' ' ' ARG . 26.2 m -65.15 106.49 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.363 . . . . 0.0 111.149 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.655 ' HB2' HG22 ' A' ' 66' ' ' ILE . 27.5 p90 -95.1 153.81 17.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.601 HD23 HD11 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -151.55 127.07 10.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.432 HG22 HG12 ' A' ' 64' ' ' ILE . 16.0 t -96.4 140.89 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 2.1 ptt-85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.521 ' HB3' HD12 ' A' ' 77' ' ' ILE . 75.6 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.845 0.355 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.447 ' O ' ' NH1' ' A' ' 53' ' ' ARG . . . -151.34 140.4 21.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.848 HG13 HD11 ' A' ' 77' ' ' ILE . 53.9 mt -108.95 127.4 65.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 4.8 t -128.39 129.5 46.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.666 HD13 ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -136.41 169.42 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -92.0 116.23 28.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.555 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 15.1 t80 -144.69 143.11 30.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.879 ' O ' HG22 ' A' ' 70' ' ' VAL . 7.3 t30 51.09 33.6 9.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.879 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 65.28 25.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 68' ' ' TYR . 5.0 pt-20 -143.1 139.38 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.776 HG21 ' HA ' ' A' ' 39' ' ' GLU . 64.6 t -79.41 98.07 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 65' ' ' SER . 29.4 mmtt -82.96 157.63 22.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.588 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 6.1 m-70 -128.62 155.26 45.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.617 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.636 HG21 HD13 ' A' ' 86' ' ' ILE . 33.5 mt -138.4 126.83 30.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.138 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -76.21 137.82 40.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.848 HD11 HG13 ' A' ' 64' ' ' ILE . 95.7 mt -110.7 131.12 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.2 mtm -106.57 158.52 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.3 p -134.34 139.75 45.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.609 ' HB3' HH12 ' A' ' 85' ' ' ARG . . . -158.91 123.48 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 66.66 24.96 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.35 21.43 58.54 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.622 ' O ' HG22 ' A' ' 79' ' ' THR . 6.7 mt -113.43 172.82 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.595 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 38.6 m-85 -134.95 125.74 27.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.769 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 5.8 ptt-85 -161.83 128.84 3.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.636 HD13 HG21 ' A' ' 75' ' ' ILE . 3.7 pt -71.92 -20.12 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.41 ' N ' HG13 ' A' ' 86' ' ' ILE . 6.4 t -137.18 151.63 49.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.81 47.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -112.0 -37.04 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.498 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 22.6 tptt -161.3 130.19 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.952 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.769 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -111.43 158.56 18.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.081 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.532 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -138.53 158.64 43.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.458 ' CD ' ' H ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -44.14 -58.3 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.422 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -143.99 -179.52 20.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.595 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.0 mm? -49.51 -59.5 3.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 95' ' ' LEU . 16.7 m -32.82 -47.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -72.2 -60.98 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.621 HD11 ' CE2' ' A' ' 102' ' ' TYR . 1.9 tm? -41.08 -49.49 3.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.841 HG13 ' HG ' ' A' ' 118' ' ' LEU . 60.3 t -64.74 -42.41 94.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -51.62 -35.53 42.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.53 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 30.9 t80 -73.87 -58.4 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.621 ' CE2' HD11 ' A' ' 98' ' ' LEU . 22.0 m-30 -55.31 -12.23 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.931 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.68 HE21 HG12 ' A' ' 99' ' ' VAL . 50.6 mt-30 -73.62 -22.6 59.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.944 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.609 ' HG2' ' ND2' ' A' ' 105' ' ' ASN . 8.3 pt20 -115.34 -9.31 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.609 ' ND2' ' HG2' ' A' ' 104' ' ' GLN . 0.1 OUTLIER -126.98 118.87 25.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.599 ' HA ' HG23 ' A' ' 117' ' ' THR . 46.6 t -46.89 149.4 0.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.479 HD12 HD13 ' A' ' 75' ' ' ILE . 1.5 mm? -76.62 -11.15 59.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -43.16 -26.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.78 -39.49 25.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 14.4 t -98.43 -33.02 11.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -133.39 85.99 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 113' ' ' SER . 4.1 pttp -45.81 -28.91 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.468 ' N ' ' HG3' ' A' ' 112' ' ' LYS . 51.6 p -72.78 -33.87 66.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 12.7 tp -99.32 92.95 5.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.58 77.51 2.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.555 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 15.0 t -130.76 -176.84 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.599 HG23 ' HA ' ' A' ' 106' ' ' SER . 1.9 p -153.15 149.32 27.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.841 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.6 mm? -63.42 91.07 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.476 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 6.9 mt-30 -74.07 -72.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.963 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -142.0 151.36 58.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.692 0.758 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 54.3 Cg_endo -69.74 163.5 38.02 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 2.247 . . . . 0.0 112.401 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.884 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 15.6 p90 -75.94 -34.74 59.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.608 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 21.6 mttt -71.57 -23.71 61.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.5 tm-20 -32.6 134.56 0.28 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.667 0.746 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.721 2.281 . . . . 0.0 112.344 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.57 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 31.4 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.789 0.328 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.1 p -59.46 -35.9 74.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 m -56.5 -31.62 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.564 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 34.7 m-70 -66.92 160.09 26.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 124' ' ' GLU . 85.2 mt -87.86 -34.27 18.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.564 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 7.0 p-90 -81.57 19.06 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.57 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 20.3 t80 -113.46 93.22 4.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.554 ' HB2' ' CE1' ' A' ' 122' ' ' PHE . . . -91.09 25.4 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 40.64 -142.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 88.28 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.711 2.274 . . . . 0.0 112.361 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.2 ttp -124.83 141.96 51.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -88.36 168.81 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.55 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 48.0 ttp180 -54.48 -54.25 43.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.66 -60.93 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.07 -52.34 6.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.522 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.496 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -61.87 -40.99 97.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.852 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 71.7 mt-10 -67.44 -27.06 66.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.4 t -93.03 -19.38 21.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.0 mt -84.67 -55.78 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.143 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.654 HD13 ' HA ' ' A' ' 66' ' ' ILE . 41.1 mt -75.0 -15.25 60.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.852 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -51.28 -45.24 62.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -89.38 -31.34 17.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.405 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 5.1 mmp_? -46.86 173.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.1 m -92.85 133.79 35.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.4 OUTLIER -36.56 118.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.447 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 119.73 -20.52 9.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.538 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 122' ' ' PHE . 5.6 m -64.9 101.62 0.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.761 0.315 . . . . 0.0 111.186 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.724 ' CD2' HD12 ' A' ' 118' ' ' LEU . 23.8 p90 -91.63 152.02 20.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.822 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -150.29 131.81 14.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.492 HG22 HG12 ' A' ' 64' ' ' ILE . 29.6 t -100.32 140.98 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.134 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 3.9 ptt-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.452 ' HB3' HD12 ' A' ' 77' ' ' ILE . 65.1 m-85 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.78 140.44 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.124 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.805 HG13 HD11 ' A' ' 77' ' ' ILE . 74.1 mt -103.75 115.76 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 2.5 t -120.29 129.34 53.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.654 ' HA ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -139.44 162.54 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -86.09 116.29 24.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 116' ' ' THR . 13.6 t80 -143.85 142.69 30.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.875 ' O ' HG22 ' A' ' 70' ' ' VAL . 20.2 t30 50.82 33.57 8.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 65.25 25.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.167 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 68' ' ' TYR . 3.8 pt-20 -141.85 138.44 32.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.604 HG21 ' HA ' ' A' ' 39' ' ' GLU . 66.5 t -79.63 98.97 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -82.98 156.96 23.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.55 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 7.7 m-70 -131.22 150.75 52.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.642 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.545 HG21 HD13 ' A' ' 86' ' ' ILE . 54.5 mt -133.86 127.51 52.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.155 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.59 135.08 38.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.805 HD11 HG13 ' A' ' 64' ' ' ILE . 88.4 mt -110.55 127.98 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.7 mtm -105.83 157.61 17.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.3 p -129.63 141.87 50.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.151 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.14 124.72 3.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 65.88 25.03 11.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.66 19.32 64.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.529 ' O ' HG22 ' A' ' 79' ' ' THR . 5.7 mt -111.48 168.58 9.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -129.66 122.89 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.684 ' CZ ' ' HB2' ' A' ' 91' ' ' ALA . 14.4 ptt180 -161.89 129.53 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.545 HD13 HG21 ' A' ' 75' ' ' ILE . 41.9 pt -68.88 -23.15 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.45 HG21 ' SG ' ' A' ' 110' ' ' CYS . 8.8 t -133.08 149.62 52.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -78.33 48.01 0.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -109.29 -45.04 3.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.581 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.8 tmtt? -154.93 116.89 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.684 ' HB2' ' CZ ' ' A' ' 85' ' ' ARG . . . -94.05 154.29 17.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.634 ' CD1' HD23 ' A' ' 98' ' ' LEU . 9.2 m-85 -129.88 158.83 38.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.448 ' NH1' ' HB3' ' A' ' 93' ' ' ARG . 4.7 mmm180 -52.23 -42.02 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.68 175.4 36.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.1 mm? -48.17 -59.14 3.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.92 0.391 . . . . 0.0 110.946 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 95' ' ' LEU . 10.2 m -32.66 -42.37 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -79.75 -58.3 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.634 HD23 ' CD1' ' A' ' 92' ' ' PHE . 2.1 tm? -43.03 -44.51 4.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.972 HG13 ' HG ' ' A' ' 118' ' ' LEU . 86.5 t -69.59 -43.98 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -53.3 -45.24 68.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.461 ' O ' ' HG3' ' A' ' 104' ' ' GLN . 55.1 t80 -61.9 -38.13 87.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.487 ' HB3' ' CD2' ' A' ' 118' ' ' LEU . 11.3 m-85 -77.08 -20.52 55.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.494 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 75.0 mt-30 -67.75 -20.72 65.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.514 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 4.8 pt20 -106.43 -24.09 12.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.514 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 26.0 m-80 -118.51 140.3 50.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.515 ' HA ' HG23 ' A' ' 117' ' ' THR . 32.7 t -67.4 148.02 52.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.545 HD12 HD13 ' A' ' 75' ' ' ILE . 2.1 mm? -72.16 -10.45 59.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.946 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 41.3 pttt -41.86 -44.1 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.458 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 27.3 t70 -44.93 -49.85 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.45 ' SG ' HG21 ' A' ' 87' ' ' THR . 9.6 m -82.95 -37.21 24.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -134.91 87.21 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -43.01 -46.32 5.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.2 t -56.9 -33.29 66.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.6 tp -102.59 92.59 4.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -102.49 73.81 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.571 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 10.5 t -138.55 179.84 6.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.515 HG23 ' HA ' ' A' ' 106' ' ' SER . 8.1 p -142.1 154.52 44.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.972 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.6 mm? -63.63 88.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.447 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.6 mt-30 -65.63 -73.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.465 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -144.05 154.74 58.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.688 0.756 . . . . 0.0 110.878 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.435 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.1 Cg_endo -69.84 163.55 37.91 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.665 2.243 . . . . 0.0 112.314 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.61 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 12.8 p90 -77.87 -40.42 40.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.61 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 21.3 mttt -63.35 -25.58 68.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.496 ' HA ' HD13 ' A' ' 27' ' ' LEU . 3.3 tm-20 -32.71 133.15 0.3 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.335 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.453 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 87.6 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.828 0.347 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.0 p -59.77 -30.07 68.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 m -57.23 -19.76 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.56 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 34.5 m-70 -80.21 167.54 20.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 124' ' ' GLU . 40.6 mt -93.2 -33.06 14.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.56 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.1 p-90 -83.11 17.23 2.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.453 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 12.1 t80 -109.19 96.88 6.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.834 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -99.26 30.58 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.112 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.9 -144.59 0.25 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 87.76 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.671 2.247 . . . . 0.0 112.345 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.768 ' HE3' ' CB ' ' A' ' 30' ' ' ALA . 14.7 ttm -115.86 143.74 44.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.424 ' N ' ' HG2' ' A' ' 33' ' ' MET . 36.1 mt-10 -89.77 159.08 17.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -47.62 -53.26 15.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.78 -56.58 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.78 -51.34 18.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.632 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -63.59 -37.5 87.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.753 0.311 . . . . 0.0 111.072 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.733 ' HA ' HG21 ' A' ' 72' ' ' VAL . 27.6 mt-10 -72.52 -27.1 62.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.6 m -92.01 -23.54 19.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.9 mt -79.06 -57.95 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.648 HD13 ' HA ' ' A' ' 66' ' ' ILE . 33.9 mt -72.6 -10.37 59.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -51.8 -54.76 25.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -81.43 -32.55 32.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -45.58 168.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.3 m -86.63 133.06 33.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' SER . 4.1 p-10 -37.71 121.85 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.44 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 117.51 -19.83 11.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.459 ' O ' HD22 ' A' ' 42' ' ' LEU . 27.9 m -65.22 100.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 111.12 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.667 ' CD2' HD12 ' A' ' 118' ' ' LEU . 25.1 p90 -86.83 152.03 22.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.828 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -149.29 130.23 14.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.543 HG22 HG12 ' A' ' 64' ' ' ILE . 17.0 t -98.23 131.87 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.46 ' HD3' HD11 ' A' ' 51' ' ' LEU . 29.9 ptt85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 . . . . . 0 CA--C 1.526 0.049 0 CA-C-O 120.909 0.385 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.34 143.66 20.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.724 HG13 HD11 ' A' ' 77' ' ' ILE . 17.0 mt -106.83 124.69 62.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.427 ' O ' HD11 ' A' ' 42' ' ' LEU . 8.0 m -126.64 128.81 47.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -135.68 167.93 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.098 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.46 ' CE ' ' HA ' ' A' ' 70' ' ' VAL . 24.9 tptt -89.57 116.35 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.597 ' CE1' ' HB ' ' A' ' 116' ' ' THR . 11.2 t80 -145.3 139.83 27.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.829 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.7 t30 51.54 32.73 9.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.829 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 64.3 25.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.1 pt-20 -140.14 129.17 23.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.733 HG21 ' HA ' ' A' ' 39' ' ' GLU . 57.8 t -74.19 99.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -82.68 157.04 23.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -133.41 138.79 46.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.592 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.507 HG21 HD12 ' A' ' 86' ' ' ILE . 56.4 mt -124.89 127.73 72.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 138.54 41.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.724 HD11 HG13 ' A' ' 64' ' ' ILE . 97.4 mt -110.99 105.9 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.7 mtm -78.29 137.77 38.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.2 p -117.47 139.54 50.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.09 128.66 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 64.49 25.04 13.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.55 16.17 71.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.536 ' O ' HG22 ' A' ' 79' ' ' THR . 4.2 mt -106.93 165.61 11.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.446 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 72.6 m-85 -127.67 121.63 30.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.518 ' CD ' ' HB2' ' A' ' 91' ' ' ALA . 19.2 ptt85 -161.78 131.82 4.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.507 HD12 HG21 ' A' ' 75' ' ' ILE . 18.2 pt -74.09 -16.99 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.425 ' O ' ' HD2' ' A' ' 85' ' ' ARG . 5.1 t -136.36 144.5 44.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -77.59 45.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -112.4 -38.13 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.614 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.1 tmtm? -156.17 114.09 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.518 ' HB2' ' CD ' ' A' ' 85' ' ' ARG . . . -95.77 154.16 17.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.66 ' CD1' HD23 ' A' ' 98' ' ' LEU . 10.6 m-85 -127.74 160.8 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -57.82 -40.29 79.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.0 173.73 34.61 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.1 mm? -48.91 -61.74 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 95' ' ' LEU . 11.5 m -33.22 -45.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 100' ' ' GLU . 46.3 mm-40 -74.01 -56.64 4.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.66 HD23 ' CD1' ' A' ' 92' ' ' PHE . 2.3 tm? -45.04 -49.83 11.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.909 HG13 ' HG ' ' A' ' 118' ' ' LEU . 46.1 t -62.48 -44.2 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 97' ' ' GLU . 4.7 mt-10 -48.06 -47.08 34.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.474 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 32.1 t80 -61.86 -48.74 79.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.607 ' HE2' HD11 ' A' ' 98' ' ' LEU . 20.0 m-85 -68.18 -20.09 64.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.496 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 56.4 mt-30 -70.21 -11.42 60.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.958 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.472 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.1 pt20 -115.75 -21.41 9.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.472 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 13.2 m-80 -119.27 149.11 42.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.467 ' HB3' ' CE ' ' A' ' 108' ' ' LYS . 31.1 t -75.31 138.6 41.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.431 HD12 HD13 ' A' ' 75' ' ' ILE . 2.2 mm? -62.86 -13.34 32.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.467 ' CE ' ' HB3' ' A' ' 106' ' ' SER . 6.9 ptpt -41.8 -36.77 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -50.42 -45.73 55.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.426 ' SG ' HD11 ' A' ' 86' ' ' ILE . 3.8 m -85.15 -39.11 18.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 114' ' ' LEU . 92.6 m-85 -135.05 87.13 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 111' ' ' PHE . 1.4 tmmt? -33.96 -64.31 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.452 ' N ' ' HD2' ' A' ' 112' ' ' LYS . 8.9 m -40.3 -40.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 111' ' ' PHE . 3.8 tp -92.17 97.11 10.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 115' ' ' ASP . 29.0 t0 -111.27 65.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.597 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 14.6 t -129.01 -175.65 3.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 105' ' ' ASN . 39.2 p -144.34 159.28 42.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.909 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.4 mm? -69.78 89.23 0.56 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.44 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 11.3 mt-30 -67.21 -74.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.484 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 1.1 m-85 -142.36 155.58 64.36 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.649 0.738 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.6 Cg_endo -69.78 169.69 18.36 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.661 2.241 . . . . 0.0 112.309 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.834 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 17.2 p90 -81.01 -37.99 28.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.609 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 28.6 mttt -67.59 -24.22 65.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.2 tt0 -32.99 128.06 0.38 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.721 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.15 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.579 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 51.4 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.807 0.337 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.437 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 62.3 p -57.21 -36.4 70.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.8 m -55.91 -21.23 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.088 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.609 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 26.1 m-70 -72.85 162.69 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.495 HD13 ' HA ' ' A' ' 124' ' ' GLU . 47.9 mt -89.64 -34.76 16.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.609 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.3 p-90 -80.64 15.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.437 ' CD2' ' HA ' ' A' ' 24' ' ' SER . 6.8 t80 -106.09 95.75 5.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.749 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -99.77 34.77 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.07 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 34.28 -147.64 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 134.48 28.15 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.25 . . . . 0.0 112.34 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.426 ' CE ' ' CD1' ' A' ' 41' ' ' ILE . 14.7 ttp -172.61 148.85 2.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.824 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -84.61 171.31 12.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 31.8 ttp180 -60.75 -50.19 74.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.54 -57.68 3.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.1 -62.89 3.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.434 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.523 ' HB2' ' HD3' ' A' ' 53' ' ' ARG . . . -50.52 -39.65 49.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 111.121 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.6 ' HA ' HG21 ' A' ' 72' ' ' VAL . 25.7 mt-10 -67.65 -23.16 65.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -95.74 -20.27 19.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.426 ' CD1' ' CE ' ' A' ' 33' ' ' MET . 84.2 mt -78.53 -51.5 17.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.764 HD12 HG13 ' A' ' 72' ' ' VAL . 10.1 mt -79.58 -10.47 59.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -49.35 -41.69 39.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -93.71 -27.22 16.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.482 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 5.5 mmp_? -48.41 176.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.23 142.47 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -45.82 101.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.467 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 132.92 -18.19 4.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.483 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.762 ' O ' HD22 ' A' ' 42' ' ' LEU . 31.5 m -64.76 100.84 0.42 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.8 0.333 . . . . 0.0 111.117 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.689 ' CD2' HD12 ' A' ' 118' ' ' LEU . 21.0 p90 -88.0 156.31 19.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.716 HD23 ' CG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -154.96 128.02 8.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.926 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.75 HG22 HG12 ' A' ' 64' ' ' ILE . 15.0 t -94.97 130.38 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.523 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 27.8 ptt85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.629 ' HB3' HD12 ' A' ' 77' ' ' ILE . 58.2 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.842 0.353 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 75' ' ' ILE . . . -147.07 136.12 22.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.75 HG12 HG22 ' A' ' 52' ' ' VAL . 13.9 mt -105.94 110.38 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 51' ' ' LEU . 6.9 m -111.77 132.91 54.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.677 HD13 ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -135.74 167.13 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.151 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.508 ' HZ2' ' HG3' ' A' ' 67' ' ' LYS . 3.9 tptp -89.34 108.13 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.447 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 17.1 t80 -146.23 155.07 42.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.702 ' O ' HG22 ' A' ' 70' ' ' VAL . 9.8 t-20 49.67 36.76 11.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.85 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.7 OUTLIER 58.35 24.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 5.1 pt-20 -147.86 151.3 35.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.764 HG13 HD12 ' A' ' 42' ' ' LEU . 46.7 t -86.55 93.3 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 65' ' ' SER . 10.9 mmtt -82.38 152.72 26.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.576 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 7.9 m-70 -121.15 152.6 38.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.621 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 3.1 mm -124.44 119.96 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.108 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -73.66 121.02 20.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.651 HD11 HG13 ' A' ' 64' ' ' ILE . 66.7 mt -97.28 127.42 49.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.4 mtm -102.93 155.26 18.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.84 139.29 51.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.157 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.16 126.82 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 66.39 25.08 10.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.26 15.61 76.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.4 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 7.1 mt -110.59 165.64 11.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 110.94 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -125.48 127.73 46.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.503 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 10.4 ptt180 -162.29 129.4 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.548 HG12 ' CZ ' ' A' ' 102' ' ' TYR . 5.4 pt -68.9 -19.05 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.5 t -142.94 152.26 41.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -76.8 47.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -111.24 -34.69 6.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 16.8 tptt -163.56 124.01 2.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.503 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -103.85 151.6 22.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' A' ' 101' ' ' PHE . 3.5 m-85 -130.06 167.37 18.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 55.2 mmt-85 -57.56 -43.35 84.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.01 179.89 34.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.5 mm? -45.69 -65.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.869 0.366 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 95' ' ' LEU . 4.5 m -32.23 -55.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.432 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 8.0 mm-40 -62.62 -54.47 39.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.947 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.3 tm? -49.73 -60.9 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.901 HG12 HE21 ' A' ' 103' ' ' GLN . 45.2 t -54.92 -46.55 76.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -47.37 -37.66 11.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.479 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 60.2 t80 -71.68 -55.57 7.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.947 ' CE2' HD21 ' A' ' 98' ' ' LEU . 21.2 m-85 -56.46 -16.63 6.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.97 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.901 HE21 HG12 ' A' ' 99' ' ' VAL . 50.8 mt-30 -72.35 -19.56 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.486 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 3.6 pt20 -110.63 -15.47 13.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.724 ' O ' HG22 ' A' ' 117' ' ' THR . 14.0 m-80 -122.48 148.85 44.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.645 ' HA ' HG23 ' A' ' 117' ' ' THR . 2.8 m -69.19 147.08 51.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.552 HD23 ' HA ' ' A' ' 117' ' ' THR . 1.3 mm? -78.97 -14.09 59.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -42.18 -35.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -40.36 -41.09 1.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.844 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.1 t -96.94 -33.59 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 112' ' ' LYS . 93.5 m-85 -134.23 82.28 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 111' ' ' PHE . 1.7 ttmm -37.86 -62.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.1 t -41.15 -40.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 25.9 tp -93.79 96.59 9.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.79 66.09 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.447 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 11.6 t -124.1 -174.49 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.724 HG22 ' O ' ' A' ' 105' ' ' ASN . 1.5 p -152.24 165.95 33.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.851 ' HG ' HG13 ' A' ' 99' ' ' VAL . 1.6 mm? -73.25 95.45 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.467 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.4 mt-30 -76.34 -72.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -142.53 154.1 62.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.726 . . . . 0.0 110.913 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.8 Cg_endo -69.74 168.32 21.88 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.749 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 10.9 p90 -80.56 -35.8 33.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.609 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 18.5 mtmt -70.77 -23.07 62.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.495 ' HA ' HD13 ' A' ' 27' ' ' LEU . 3.1 tm-20 -32.06 133.01 0.28 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.727 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.149 0 C-N-CA 122.733 2.288 . . . . 0.0 112.358 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.525 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 78.3 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.804 0.335 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 t -59.64 -35.76 75.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.9 m -53.6 -30.71 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.648 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 35.9 m-70 -67.78 159.97 29.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.433 HD22 ' HB3' ' A' ' 123' ' ' LYS . 55.2 mt -86.89 -33.53 19.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.648 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.4 p-90 -82.27 19.4 1.21 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.478 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 9.5 t80 -113.4 94.89 5.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.813 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -94.56 37.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.55 -151.53 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 107.17 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.543 ' HE3' ' HB1' ' A' ' 30' ' ' ALA . 30.1 ttm -140.38 150.67 44.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.493 ' N ' ' HG2' ' A' ' 33' ' ' MET . 50.9 mt-10 -89.15 171.57 9.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.571 ' HD2' ' CE1' ' A' ' 74' ' ' HIS . 4.1 tpp85 -57.22 -65.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . -35.53 -54.92 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.1 -56.18 8.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.95 -33.4 70.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.712 0.291 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.628 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 23.7 mt-10 -74.17 -20.8 60.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 t -94.16 -24.36 17.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.0 mt -76.24 -58.77 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.581 HD22 ' O ' ' A' ' 49' ' ' THR . 10.9 mt -72.02 -12.31 61.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -50.41 -40.76 50.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -95.25 -29.31 14.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.524 ' HE ' HG21 ' A' ' 49' ' ' THR . 29.3 mmm180 -48.96 174.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -96.03 139.97 31.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.1 123.35 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 114.6 -21.71 14.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.581 ' O ' HD22 ' A' ' 42' ' ' LEU . 26.7 m -65.57 100.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 111.113 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.638 ' HB2' HG22 ' A' ' 66' ' ' ILE . 23.7 p90 -88.45 155.7 19.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -154.11 130.55 10.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.493 HG22 HG12 ' A' ' 64' ' ' ILE . 16.8 t -94.17 130.01 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' NH2' ' HD3' ' A' ' 35' ' ' ARG . 24.3 ptt85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.715 ' HB3' HD12 ' A' ' 77' ' ' ILE . 47.7 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.63 139.79 16.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.606 HG13 HD11 ' A' ' 77' ' ' ILE . 60.4 mt -100.63 122.18 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 8.6 t -119.97 131.38 55.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.651 HD13 ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -140.09 168.88 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' HD2' ' O ' ' A' ' 71' ' ' GLU . 16.2 tptm -90.4 112.07 23.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.529 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 18.0 t80 -139.27 143.79 38.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 1.0 ' O ' HG22 ' A' ' 70' ' ' VAL . 8.4 t-20 50.9 31.08 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.0 HG22 ' O ' ' A' ' 69' ' ' ASN . 1.0 OUTLIER 69.08 24.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -136.2 -179.59 5.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.54 HG21 ' HA ' ' A' ' 39' ' ' GLU . 92.0 t -118.16 92.02 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 65' ' ' SER . 18.8 mmtt -87.74 150.56 23.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.571 ' CE1' ' HD2' ' A' ' 35' ' ' ARG . 7.3 m-70 -120.49 155.12 34.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.604 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.778 HG21 HD13 ' A' ' 86' ' ' ILE . 3.9 mm -128.62 109.4 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.159 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.09 138.46 37.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.715 HD12 ' HB3' ' A' ' 62' ' ' PHE . 83.5 mt -111.77 104.88 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.7 mtm -89.88 139.82 30.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.737 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.3 p -116.86 138.75 51.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.549 ' HB3' HH21 ' A' ' 85' ' ' ARG . . . -149.06 129.92 14.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.083 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 63.71 25.44 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.87 16.18 70.85 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.554 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.737 ' O ' HG22 ' A' ' 79' ' ' THR . 13.0 mt -108.91 168.95 8.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.863 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -122.94 123.72 41.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.549 HH21 ' HB3' ' A' ' 80' ' ' ALA . 18.9 ptt180 -161.39 129.31 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.778 HD13 HG21 ' A' ' 75' ' ' ILE . 5.7 pt -69.42 -20.85 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.413 ' N ' HG13 ' A' ' 86' ' ' ILE . 3.9 t -136.55 148.31 47.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -77.5 45.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -113.13 -35.42 5.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.53 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 26.0 tptt -156.47 122.0 4.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.476 ' CB ' HD13 ' A' ' 83' ' ' LEU . . . -104.11 149.39 25.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.53 ' CZ ' ' HG2' ' A' ' 90' ' ' LYS . 3.4 m-85 -129.41 164.48 23.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 34.9 mmm-85 -58.28 -46.26 86.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -151.14 179.39 27.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.6 mm? -49.45 -61.19 2.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.952 0.406 . . . . 0.0 110.937 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.3 m -33.05 -55.77 0.39 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -63.67 -54.14 40.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.879 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.2 tm? -48.74 -60.86 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.822 HG13 ' HG ' ' A' ' 118' ' ' LEU . 47.4 t -54.33 -44.5 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -47.41 -42.55 22.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.433 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 27.5 t80 -66.64 -54.72 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.879 ' CE2' HD21 ' A' ' 98' ' ' LEU . 22.0 m-85 -60.63 -17.19 45.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.774 ' OE1' HG12 ' A' ' 99' ' ' VAL . 27.9 mt-30 -73.81 -10.4 59.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.523 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 1.7 pt20 -118.91 -20.17 8.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.568 ' O ' HG22 ' A' ' 117' ' ' THR . 8.8 m-80 -119.95 145.35 46.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.565 ' HA ' HG23 ' A' ' 117' ' ' THR . 2.5 t -69.8 132.69 46.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.798 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.418 HD23 HG21 ' A' ' 75' ' ' ILE . 8.3 mp -62.7 -7.6 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -41.89 -30.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -50.74 -44.02 58.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.9 t -86.85 -34.95 19.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 114' ' ' LEU . 99.6 m-85 -134.89 81.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.63 -38.24 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 70.0 m -66.19 -37.04 84.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 111' ' ' PHE . 24.6 tp -98.85 93.91 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -98.31 75.17 2.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.529 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 12.6 t -129.01 169.54 14.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 105' ' ' ASN . 3.9 p -138.85 162.07 35.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.822 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.0 mm? -72.58 91.94 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.443 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 6.2 mt-30 -72.43 -72.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' PHE . 1.2 m-85 -141.64 153.84 65.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.658 0.742 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.458 ' O ' HG23 ' A' ' 49' ' ' THR . 53.9 Cg_endo -69.7 170.49 16.38 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.813 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 23.1 p90 -81.02 -34.65 32.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 17.9 mtmt -75.51 -15.19 60.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.937 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 123' ' ' LYS . 1.8 tt0 -38.1 126.55 1.03 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.666 0.746 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.55 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 64.5 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.809 0.338 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.7 p -60.55 -35.35 75.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -57.82 -22.36 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.565 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 29.9 m-70 -74.35 155.49 38.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 124' ' ' GLU . 57.7 mt -83.75 -31.96 25.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.565 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 7.9 p-90 -84.6 17.46 2.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.479 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 17.9 t80 -112.48 94.06 4.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.95 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.801 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -94.34 33.28 1.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.72 -141.44 0.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.531 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 94.36 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.374 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.504 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 19.3 ttp -129.84 135.72 48.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -83.24 160.92 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.571 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 23.4 ttp-105 -47.39 -55.41 8.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.06 -62.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' ILE . . . -43.32 -53.84 5.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.51 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.436 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -57.19 -38.62 73.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.773 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 19.9 mt-10 -73.01 -27.92 62.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.4 t -93.42 -17.22 23.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.504 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 38.2 mt -84.81 -57.59 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.743 ' CG ' HD23 ' A' ' 51' ' ' LEU . 30.7 mt -75.55 -11.95 60.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -47.44 -56.4 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -80.51 -33.08 36.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.482 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 27.2 mmt180 -42.98 164.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.73 135.63 34.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.99 117.86 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.44 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 122.62 -20.97 7.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.505 ' O ' HD22 ' A' ' 42' ' ' LEU . 10.1 m -64.82 102.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 111.162 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.816 ' CD2' HD12 ' A' ' 118' ' ' LEU . 23.0 p90 -92.63 155.16 17.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.743 HD23 ' CG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -153.9 132.26 11.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.497 HG22 HG12 ' A' ' 64' ' ' ILE . 29.0 t -105.25 127.36 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.507 ' HB3' HD12 ' A' ' 77' ' ' ILE . 45.4 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.893 0.377 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.91 143.82 20.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.661 HG13 HD11 ' A' ' 77' ' ' ILE . 64.3 mt -107.06 122.3 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.6 t -128.14 130.41 48.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.658 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -138.49 165.29 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.469 ' HE3' ' C ' ' A' ' 70' ' ' VAL . 24.7 tptt -83.99 115.29 22.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.579 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 17.1 t80 -145.19 142.64 29.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.871 ' O ' HG22 ' A' ' 70' ' ' VAL . 10.1 t-20 51.28 32.25 8.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.871 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 64.72 24.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.196 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.0 pt-20 -142.05 133.49 26.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.689 HG21 ' HA ' ' A' ' 39' ' ' GLU . 65.5 t -74.64 98.04 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -82.64 157.5 23.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.571 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 2.9 m-70 -134.38 144.82 48.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.566 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.65 HG21 HD13 ' A' ' 86' ' ' ILE . 55.9 mt -127.76 130.71 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.39 140.88 38.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.661 HD11 HG13 ' A' ' 64' ' ' ILE . 94.5 mt -112.15 131.49 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.1 mtm -107.19 142.1 37.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.1 p -116.76 137.43 52.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.28 126.22 5.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.062 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 65.91 24.98 11.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.77 19.78 64.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 79' ' ' THR . 5.3 mt -112.44 170.35 8.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.932 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -131.43 121.62 24.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.778 ' CZ ' ' HB2' ' A' ' 91' ' ' ALA . 13.4 ptt180 -162.03 129.74 4.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.841 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.65 HD13 HG21 ' A' ' 75' ' ' ILE . 13.7 pt -69.05 -23.35 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.1 t -131.53 147.49 52.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -78.11 46.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.464 ' HA ' ' CE ' ' A' ' 89' ' ' LYS . 1.9 mmpt? -109.17 -44.36 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.593 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.0 tmtt? -153.2 115.9 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.778 ' HB2' ' CZ ' ' A' ' 85' ' ' ARG . . . -93.87 152.07 19.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.698 ' CD1' HD23 ' A' ' 98' ' ' LEU . 6.6 m-85 -128.68 141.69 51.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' PHE . 11.7 mmp_? -35.62 -48.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.17 179.02 29.05 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.5 mm? -51.33 -62.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.929 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.9 m -32.46 -42.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 5.9 mm-40 -75.71 -58.3 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.698 HD23 ' CD1' ' A' ' 92' ' ' PHE . 2.6 tm? -45.68 -41.78 10.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.679 HG13 ' HG ' ' A' ' 118' ' ' LEU . 48.6 t -71.39 -41.89 73.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -53.33 -33.03 51.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.532 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 22.6 t80 -73.01 -59.53 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.498 ' CB ' HD23 ' A' ' 118' ' ' LEU . 18.4 m-85 -56.29 -12.02 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.449 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 52.9 mt-30 -73.81 -22.09 59.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.617 ' HG2' ' ND2' ' A' ' 105' ' ' ASN . 4.9 pt20 -115.51 -6.62 12.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.617 ' ND2' ' HG2' ' A' ' 104' ' ' GLN . 0.2 OUTLIER -132.44 118.44 19.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.565 ' HA ' HG23 ' A' ' 117' ' ' THR . 1.4 t -50.84 147.41 4.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.463 HD12 HD13 ' A' ' 75' ' ' ILE . 1.8 mm? -70.2 -11.57 60.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.3 pttt -42.14 -40.07 2.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -48.39 -48.3 36.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.46 ' SG ' HD11 ' A' ' 86' ' ' ILE . 3.6 m -84.75 -40.21 17.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 114' ' ' LEU . 95.5 m-85 -134.37 84.28 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -37.72 -64.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.5 t -39.74 -34.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 111' ' ' PHE . 6.3 tp -100.44 92.11 5.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.26 78.86 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.579 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 11.3 t -136.39 179.04 6.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.565 HG23 ' HA ' ' A' ' 106' ' ' SER . 2.9 p -145.92 149.55 34.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.816 HD12 ' CD2' ' A' ' 50' ' ' PHE . 2.5 mm? -63.83 87.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.44 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 15.7 mt-30 -69.17 -74.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.428 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -140.95 153.74 67.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.661 0.743 . . . . 0.0 110.882 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.8 Cg_endo -69.73 162.9 40.28 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.346 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.801 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 14.2 p90 -74.15 -35.08 64.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.608 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 7.7 mtmm -71.81 -23.36 61.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.466 ' HA ' HD13 ' A' ' 27' ' ' LEU . 1.9 tm-20 -32.87 131.76 0.33 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.667 0.746 . . . . 0.0 110.888 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.577 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 83.4 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.805 0.336 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.424 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 47.2 t -57.29 -37.17 72.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.6 m -52.97 -31.54 17.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.636 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 19.9 m-70 -64.33 159.05 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 124' ' ' GLU . 78.7 mt -85.06 -34.37 22.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.636 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.6 p-90 -82.58 20.59 1.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.499 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 7.7 t80 -113.79 97.01 6.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.67 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -104.98 34.95 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.081 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 36.84 -154.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 91.85 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.361 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.47 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 24.9 ttp -112.43 145.32 40.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 35' ' ' ARG . 51.2 mt-10 -77.6 136.23 38.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 39.9 ttp180 -36.37 -53.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.67 -52.8 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -48.29 -56.06 9.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.535 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.56 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -56.22 -38.64 71.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.758 0.314 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.912 ' HA ' HG21 ' A' ' 72' ' ' VAL . 43.8 mt-10 -69.67 -24.46 63.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.9 t -95.94 -22.76 17.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.47 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 19.4 mt -77.88 -55.48 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.515 HD13 ' HA ' ' A' ' 66' ' ' ILE . 22.2 mt -75.29 -10.41 59.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -52.52 -47.12 66.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -88.21 -31.56 19.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.4 mmp_? -49.64 173.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.3 137.77 32.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -39.41 125.14 1.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.457 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 114.81 -20.52 14.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.429 ' CG2' ' HA ' ' A' ' 122' ' ' PHE . 12.3 m -65.02 101.34 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 111.166 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.675 ' HB2' HG22 ' A' ' 66' ' ' ILE . 24.0 p90 -91.9 153.31 19.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.583 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -150.26 125.91 10.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.9 HG22 HG12 ' A' ' 64' ' ' ILE . 10.1 t -96.61 126.7 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.439 ' CZ ' ' HA ' ' A' ' 35' ' ' ARG . 35.8 ptt85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.836 ' HB3' HD12 ' A' ' 77' ' ' ILE . 58.3 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.45 129.6 8.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.04 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.9 HG12 HG22 ' A' ' 52' ' ' VAL . 54.7 mt -97.58 112.43 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 22.8 m -109.92 123.79 50.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.675 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -132.26 165.49 31.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -91.48 114.89 27.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.484 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 14.0 t80 -145.53 143.0 29.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.91 ' O ' HG22 ' A' ' 70' ' ' VAL . 3.7 t-20 50.89 33.92 9.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.91 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.25 24.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 5.2 pt-20 -143.92 144.79 31.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.912 HG21 ' HA ' ' A' ' 39' ' ' GLU . 86.8 t -85.02 96.63 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.489 ' HB3' HD22 ' A' ' 114' ' ' LEU . 25.9 mmtt -82.88 145.04 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -113.8 150.02 34.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.619 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.853 ' CG2' HD13 ' A' ' 86' ' ' ILE . 9.5 mm -126.06 95.88 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -50.52 124.2 10.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.836 HD12 ' HB3' ' A' ' 62' ' ' PHE . 66.4 mt -101.5 124.08 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.8 mtm -104.47 140.99 37.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 p -115.77 130.11 56.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.4 121.54 11.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.06 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 64.75 25.08 12.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.23 -10.48 74.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.488 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 5.5 mt -84.38 150.67 25.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.505 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 46.2 m-85 -112.23 125.26 53.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.808 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 10.5 ptt180 -162.22 134.22 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.853 HD13 ' CG2' ' A' ' 75' ' ' ILE . 3.8 pt -75.39 -19.76 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.413 ' N ' HG13 ' A' ' 86' ' ' ILE . 7.4 t -136.87 147.66 46.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -76.94 43.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -113.05 -36.77 4.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.496 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 20.8 tptt -151.38 125.9 9.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.808 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -109.9 152.14 26.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.546 ' CD1' HD23 ' A' ' 98' ' ' LEU . 4.5 m-85 -132.85 157.4 45.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -50.91 -44.27 60.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -155.71 178.44 32.29 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.505 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.0 mm? -50.69 -64.58 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.887 0.375 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.4 m -32.01 -44.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -75.54 -61.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.725 HD13 ' C ' ' A' ' 98' ' ' LEU . 2.3 tm? -43.35 -41.87 4.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.851 HG13 ' HG ' ' A' ' 118' ' ' LEU . 52.1 t -70.44 -40.84 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -51.72 -36.96 48.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.548 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 30.1 t80 -69.8 -57.77 4.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.587 ' CE2' HD11 ' A' ' 98' ' ' LEU . 16.3 m-85 -55.19 -17.82 4.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.515 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 75.5 mt-30 -72.31 -14.61 61.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.528 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.6 pt20 -118.35 -9.07 10.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -132.73 137.92 47.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.488 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 8.2 t -59.61 142.52 52.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.485 HD22 HG21 ' A' ' 75' ' ' ILE . 1.9 mt -70.55 -10.9 60.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.0 pttp -41.28 -33.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -40.9 -40.93 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 9.0 t -103.6 -30.8 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.643 ' HE2' HG23 ' A' ' 75' ' ' ILE . 76.8 m-85 -128.98 74.47 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' PHE . 17.7 tptt -36.66 -56.17 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.3 t -49.68 -38.22 31.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 73' ' ' LYS . 16.7 tp -95.53 97.75 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -103.07 71.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.484 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 13.9 t -125.61 176.44 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.488 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 17.7 p -145.06 153.54 41.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.851 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.6 mm? -63.47 102.44 0.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.457 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 10.6 mt-30 -83.63 -73.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.445 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -142.87 153.85 61.45 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.64 0.733 . . . . 0.0 110.906 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.6 Cg_endo -69.77 164.32 34.98 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.67 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 9.2 p90 -77.8 -32.82 52.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.612 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 12.8 mtmt -74.1 -20.75 60.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.457 ' HA ' HD13 ' A' ' 27' ' ' LEU . 2.6 tt0 -34.26 128.27 0.46 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.651 0.738 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.578 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 28.8 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 m -57.99 -36.8 73.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.1 m -56.38 -16.64 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.578 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 31.9 m-70 -82.49 160.18 22.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 124' ' ' GLU . 82.0 mt -87.95 -35.13 17.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.511 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.2 p-90 -82.31 19.51 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 23' ' ' LEU . 18.3 t80 -112.82 96.02 5.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.642 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -100.95 35.62 2.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 36.46 -153.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 90.67 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.449 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 32.0 ttp -119.49 134.22 55.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -66.12 172.84 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 28.8 ttp180 -64.78 -57.31 9.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.26 -54.4 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -46.63 -59.98 5.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.621 ' HB1' HD21 ' A' ' 51' ' ' LEU . . . -57.25 -37.4 72.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.335 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 40.1 mt-10 -68.94 -26.33 65.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 t -93.46 -25.8 17.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.449 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 24.9 mt -73.48 -54.03 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.59 HD12 HG13 ' A' ' 72' ' ' VAL . 19.5 mt -75.43 -15.63 60.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -48.53 -48.38 38.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -86.19 -31.88 21.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.434 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 5.1 mmp_? -46.3 173.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.1 m -94.74 132.32 39.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 46' ' ' SER . 50.7 m-20 -34.39 121.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.466 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 117.29 -20.29 11.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.441 ' O ' HD22 ' A' ' 42' ' ' LEU . 5.9 m -64.94 110.26 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 111.121 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.656 ' CD2' HD12 ' A' ' 118' ' ' LEU . 29.2 p90 -99.07 151.49 20.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.621 HD21 ' HB1' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -149.82 130.11 13.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.513 HG22 HG12 ' A' ' 64' ' ' ILE . 21.1 t -94.92 122.41 46.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.2 ptt85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.936 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.517 ' HB3' HD12 ' A' ' 77' ' ' ILE . 72.3 m-85 . . . . . 0 CA--C 1.526 0.048 0 CA-C-O 120.927 0.394 . . . . 0.0 110.825 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.95 130.45 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.635 HG21 HD11 ' A' ' 118' ' ' LEU . 8.7 mt -97.54 105.6 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 9.3 t -110.25 130.21 55.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.663 HD13 ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -134.78 168.61 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.159 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -91.38 113.49 25.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.564 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 17.4 t80 -143.77 145.84 32.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.835 ' O ' HG22 ' A' ' 70' ' ' VAL . 4.6 t-20 51.3 32.75 8.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.835 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 64.44 25.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -143.42 138.6 29.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.59 HG13 HD12 ' A' ' 42' ' ' LEU . 61.3 t -79.84 97.32 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 65' ' ' SER . 16.1 mmtt -82.84 150.14 26.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.574 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 34.4 m-70 -115.08 143.7 44.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.582 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.7 HD11 HD23 ' A' ' 114' ' ' LEU . 28.9 mm -122.68 95.56 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.42 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 1.2 pttm -55.92 138.26 48.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.517 HD12 ' HB3' ' A' ' 62' ' ' PHE . 80.0 mt -116.63 137.83 49.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 28.4 mtm -114.68 139.96 49.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.408 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.1 p -112.07 135.07 53.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -155.15 128.49 8.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 65.2 25.06 12.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.57 14.94 77.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mt -109.84 167.94 9.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.408 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 77.7 m-85 -127.93 120.03 26.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.878 ' NE ' ' HB2' ' A' ' 91' ' ' ALA . 15.5 ptt180 -162.0 138.02 7.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.803 HD11 ' SG ' ' A' ' 110' ' ' CYS . 7.1 pt -77.1 -21.45 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.408 ' O ' ' HD2' ' A' ' 85' ' ' ARG . 5.1 t -133.03 148.09 52.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.447 ' CD ' ' H ' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -79.89 43.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -108.73 -40.25 5.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.601 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 2.4 tmtm? -155.78 113.22 3.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.878 ' HB2' ' NE ' ' A' ' 85' ' ' ARG . . . -95.07 154.99 16.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.103 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.601 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 4.6 m-85 -129.75 145.95 51.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -41.62 -45.36 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.99 177.2 30.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.6 mm? -50.72 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.0 m -32.62 -40.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 31.1 mm-40 -76.87 -58.94 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.628 HD13 ' C ' ' A' ' 98' ' ' LEU . 1.9 tm? -47.23 -35.68 7.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.83 HG13 ' HG ' ' A' ' 118' ' ' LEU . 58.7 t -76.26 -38.57 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -53.26 -37.73 62.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.549 ' CD2' ' OD1' ' A' ' 105' ' ' ASN . 31.0 t80 -67.46 -58.88 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.512 ' CB ' HD23 ' A' ' 118' ' ' LEU . 19.2 m-85 -55.63 -19.81 11.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.514 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 55.8 mt-30 -70.32 -15.37 62.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.527 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 0.8 OUTLIER -116.7 -11.76 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.549 ' OD1' ' CD2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -133.14 138.2 46.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.478 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 34.9 m -64.99 138.4 58.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.02 -5.1 5.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 32.7 pttt -41.26 -45.74 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 24.6 m-20 -42.13 -47.9 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.803 ' SG ' HD11 ' A' ' 86' ' ' ILE . 4.9 m -83.31 -34.03 25.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.457 ' HE2' HG23 ' A' ' 75' ' ' ILE . 72.2 m-85 -134.95 82.59 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -43.02 -34.37 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.5 t -69.32 -36.31 76.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.7 HD23 HD11 ' A' ' 75' ' ' ILE . 28.5 tp -101.72 96.46 7.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -102.27 74.5 1.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.564 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 12.7 t -133.12 -179.78 5.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.478 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 16.7 p -143.83 161.12 39.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.83 ' HG ' HG13 ' A' ' 99' ' ' VAL . 1.9 mm? -70.6 92.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.466 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.9 mt-30 -71.05 -74.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -142.15 153.58 63.53 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.629 0.728 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.4 Cg_endo -69.79 160.96 47.76 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.264 . . . . 0.0 112.339 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.642 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 8.4 p90 -74.28 -35.66 63.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.593 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 23.6 mttm -69.5 -24.99 63.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.6 tm-20 -32.72 132.63 0.31 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.613 0.72 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.168 0 C-N-CA 122.659 2.239 . . . . 0.0 112.369 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.554 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 70.3 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.804 0.335 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.3 t -61.43 -36.06 79.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.0 m -54.01 -24.59 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.554 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 34.5 m-70 -72.58 163.67 27.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.4 mt -90.86 -31.79 16.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.525 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.5 p-90 -85.15 18.16 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 23' ' ' LEU . 9.8 t80 -110.74 96.46 6.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.694 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -103.21 27.29 7.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.406 ' HA3' ' HD2' ' A' ' 32' ' ' PRO . . . 42.47 -149.95 0.4 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.406 ' HD2' ' HA3' ' A' ' 31' ' ' GLY . 53.6 Cg_endo -69.76 98.46 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.737 2.291 . . . . 0.0 112.32 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.527 ' HE3' ' CB ' ' A' ' 30' ' ' ALA . 11.3 ttm -124.82 135.67 53.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -71.74 155.01 40.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.566 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 53.4 ttt180 -48.47 -44.28 35.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.25 -63.75 1.02 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.39 -55.78 2.48 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.448 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -55.7 -42.51 75.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.865 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 20.0 mt-10 -69.07 -24.71 64.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.2 t -93.91 -21.11 19.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 65.6 mt -84.31 -58.1 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.593 ' HG ' HD23 ' A' ' 51' ' ' LEU . 41.5 mt -73.82 -13.83 61.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.865 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -46.18 -59.9 2.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.072 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -76.62 -34.35 58.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.454 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 16.5 mmt180 -42.6 161.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -82.69 135.23 35.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -38.13 119.15 0.76 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.45 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 120.76 -20.06 8.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.442 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.424 HG21 ' HD2' ' A' ' 45' ' ' ARG . 15.3 m -65.1 100.16 0.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.801 0.334 . . . . 0.0 111.117 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.698 ' CD2' HD12 ' A' ' 118' ' ' LEU . 24.2 p90 -89.4 152.94 21.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.826 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -149.53 124.94 10.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.936 HG22 HG12 ' A' ' 64' ' ' ILE . 5.4 t -95.23 124.57 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.524 ' HD3' HD11 ' A' ' 51' ' ' LEU . 36.4 ptt85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.553 ' HB3' HD12 ' A' ' 77' ' ' ILE . 45.3 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.883 0.373 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.78 130.47 7.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.936 HG12 HG22 ' A' ' 52' ' ' VAL . 46.3 mt -101.99 118.74 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.433 ' O ' HD11 ' A' ' 42' ' ' LEU . 27.1 m -120.34 131.51 54.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.677 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -134.39 163.33 37.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.464 ' CE ' ' HA ' ' A' ' 70' ' ' VAL . 24.5 tptt -84.61 115.27 22.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.572 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 14.0 t80 -144.93 139.99 27.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.896 ' O ' HG22 ' A' ' 70' ' ' VAL . 17.3 t30 51.63 32.0 8.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.896 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.08 25.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.4 pt-20 -141.55 132.05 25.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.861 HG21 ' HA ' ' A' ' 39' ' ' GLU . 58.0 t -76.26 99.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -83.45 156.88 22.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.566 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 42.2 m-70 -121.56 144.42 48.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.568 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 64' ' ' ILE . 3.6 mm -123.37 100.22 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.1 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -57.75 125.16 21.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.834 HD11 HG13 ' A' ' 64' ' ' ILE . 80.5 mt -104.14 125.0 58.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 13.4 mtm -103.6 140.87 36.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.2 p -117.34 134.23 55.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.25 118.12 9.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 66.26 25.01 10.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.98 -13.43 67.71 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.476 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 8.8 mt -78.8 155.47 29.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.544 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 77.4 m-85 -117.52 122.32 43.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.708 ' CZ ' ' HB2' ' A' ' 91' ' ' ALA . 15.2 ptt180 -161.88 131.47 4.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.853 HD11 ' SG ' ' A' ' 110' ' ' CYS . 21.1 pt -70.68 -19.63 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.8 t -140.06 153.41 46.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -79.64 45.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -112.66 -40.09 4.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.504 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 32.0 tptt -149.44 120.6 7.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.708 ' HB2' ' CZ ' ' A' ' 85' ' ' ARG . . . -105.05 148.55 26.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.552 ' CD1' HD23 ' A' ' 98' ' ' LEU . 10.2 m-85 -129.78 158.93 38.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -53.7 -44.37 69.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.39 177.96 31.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.544 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 1.8 mm? -53.56 -55.53 24.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.6 m -32.7 -46.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -75.59 -62.0 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.552 HD23 ' CD1' ' A' ' 92' ' ' PHE . 1.8 tm? -39.19 -47.72 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.893 HG13 ' HG ' ' A' ' 118' ' ' LEU . 61.9 t -68.75 -45.18 81.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -53.1 -42.75 66.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 104' ' ' GLN . 29.6 t80 -64.57 -45.64 86.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.617 ' HB3' HD21 ' A' ' 107' ' ' LEU . 9.5 m-85 -66.77 -23.28 66.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.583 HE21 HG12 ' A' ' 99' ' ' VAL . 71.8 mt-30 -65.59 -11.97 48.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.551 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 4.5 pt20 -117.01 -18.3 10.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.551 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 19.5 m-80 -120.21 142.23 49.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.0 t -67.94 136.98 54.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.617 HD21 ' HB3' ' A' ' 102' ' ' TYR . 1.2 mm? -68.34 -11.57 59.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 51.9 pttt -43.12 -44.58 5.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 1.0 OUTLIER -37.45 -48.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.853 ' SG ' HD11 ' A' ' 86' ' ' ILE . 3.6 m -84.25 -34.26 23.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -134.94 84.48 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.77 -39.67 5.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.6 m -64.57 -31.62 72.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.4 ' CD2' HD11 ' A' ' 75' ' ' ILE . 13.8 tp -103.42 96.11 6.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.72 73.7 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.572 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 10.4 t -134.6 170.62 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.8 p -136.41 166.18 24.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.893 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.7 mm? -75.85 86.45 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.45 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.3 mt-30 -66.89 -73.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.459 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 1.0 OUTLIER -142.94 155.19 62.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.74 . . . . 0.0 110.893 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 52.9 Cg_endo -69.82 168.86 20.42 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.638 2.225 . . . . 0.0 112.349 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.694 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 11.4 p90 -81.09 -35.57 31.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.623 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 15.3 mtmt -71.35 -21.42 62.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.8 tt0 -33.56 128.56 0.41 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.153 0 C-N-CA 122.696 2.264 . . . . 0.0 112.314 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.587 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 83.2 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.81 0.338 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 t -62.38 -35.19 78.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -55.4 -22.67 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.61 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 29.4 m-70 -74.69 158.61 33.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.5 mt -87.32 -30.65 20.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.2 p-90 -85.4 18.17 2.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.493 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 14.2 t80 -111.15 94.67 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.818 ' HB2' ' CE1' ' A' ' 122' ' ' PHE . . . -101.47 36.68 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 33.79 -151.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.553 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 92.94 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.735 2.29 . . . . 0.0 112.338 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.4 ttp -118.25 135.57 54.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.9 162.29 26.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.46 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 24.9 ttp180 -58.25 -54.37 47.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.63 -46.15 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.77 -63.97 4.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.542 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.51 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -48.72 -34.1 11.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 111.144 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.803 ' HA ' HG21 ' A' ' 72' ' ' VAL . 15.3 mt-10 -77.49 -25.48 50.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.8 t -90.67 -21.37 21.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.823 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.421 ' O ' ' HG2' ' A' ' 45' ' ' ARG . 25.3 mt -84.06 -61.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.79 HD11 HD23 ' A' ' 51' ' ' LEU . 15.4 mt -76.2 0.96 17.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -36.23 -71.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -116.13 19.92 14.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.46 ' HB2' ' HA ' ' A' ' 42' ' ' LEU . 4.6 mmt180 -54.25 -77.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -177.64 114.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.8 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' SER . 4.8 p-10 -35.05 107.5 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.469 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 120.58 -11.75 10.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.517 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.545 ' CG2' HD22 ' A' ' 42' ' ' LEU . 6.4 m -64.96 99.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 111.106 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.591 ' CD2' HD12 ' A' ' 118' ' ' LEU . 20.3 p90 -91.49 148.84 22.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.79 HD23 HD11 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -150.55 131.24 14.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.689 HG22 HG12 ' A' ' 64' ' ' ILE . 3.4 t -98.59 140.23 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 9.1 ptt-85 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.683 ' HB3' HD12 ' A' ' 77' ' ' ILE . 87.1 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.459 ' O ' ' NH1' ' A' ' 53' ' ' ARG . . . -149.89 127.92 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.689 HG12 HG22 ' A' ' 52' ' ' VAL . 15.5 mt -99.76 112.43 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 2.4 t -114.17 129.74 56.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.786 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.812 HD13 ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -133.21 160.33 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.14 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.471 ' HE3' ' C ' ' A' ' 70' ' ' VAL . 27.1 tptt -86.93 115.27 24.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.43 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 23.4 t80 -145.1 144.8 31.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.875 ' O ' HG22 ' A' ' 70' ' ' VAL . 5.5 t30 51.61 31.36 7.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 66.06 25.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.448 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 3.8 pt-20 -144.35 130.12 19.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.803 HG21 ' HA ' ' A' ' 39' ' ' GLU . 89.2 t -74.73 98.66 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -82.84 150.83 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.517 ' ND1' ' NH2' ' A' ' 53' ' ' ARG . 55.4 m-70 -114.79 146.48 40.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.459 HG21 HD13 ' A' ' 86' ' ' ILE . 3.2 mm -124.54 112.52 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.141 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -70.99 123.96 23.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.683 HD12 ' HB3' ' A' ' 62' ' ' PHE . 71.2 mt -99.26 126.04 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.3 mtm -103.69 139.31 39.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.474 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.2 p -114.85 130.64 56.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.122 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -147.64 122.32 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 64.35 25.25 13.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.49 -11.22 70.66 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.645 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 4.8 mt -87.37 145.87 26.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.792 0.329 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.474 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 34.7 m-85 -110.18 129.92 55.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.791 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 4.4 ptt180 -162.2 129.89 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.459 HD13 HG21 ' A' ' 75' ' ' ILE . 4.7 pt -71.25 -17.59 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.7 t -140.59 152.56 45.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -78.61 45.41 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.84 -43.32 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 25.5 tptt -153.66 127.48 8.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.791 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -105.64 154.41 20.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.081 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 101' ' ' PHE . 7.2 m-85 -134.58 153.39 51.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -47.6 -47.33 28.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.35 -177.93 23.06 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.523 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.3 mm? -57.47 -58.36 8.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.4 m -33.16 -47.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -72.4 -58.1 3.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.963 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.5 tm? -43.63 -54.5 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.842 HG13 ' HG ' ' A' ' 118' ' ' LEU . 59.1 t -60.0 -45.1 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 103' ' ' GLN . 3.9 mt-10 -51.61 -42.69 62.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.487 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 38.0 t80 -65.52 -49.34 69.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.963 ' CE2' HD21 ' A' ' 98' ' ' LEU . 12.6 m-85 -63.26 -21.06 66.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.512 HE21 HG12 ' A' ' 99' ' ' VAL . 69.9 mt-30 -69.57 -9.21 53.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.495 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 1.5 pt20 -119.04 -16.99 9.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.668 ' O ' HG22 ' A' ' 117' ' ' THR . 9.7 m-80 -123.07 146.0 48.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.612 ' HA ' HG23 ' A' ' 117' ' ' THR . 3.4 m -65.91 144.7 56.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.552 HD21 ' HB3' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -76.31 -11.98 60.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.927 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -41.73 -35.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -40.03 -42.15 1.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.0 t -94.95 -30.63 14.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' LEU . 93.2 m-85 -134.94 80.94 1.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 113' ' ' SER . 1.2 pmtp? -41.26 -34.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.437 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 41.5 t -68.0 -39.02 83.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 111' ' ' PHE . 26.4 tp -96.36 96.96 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.963 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.85 69.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.43 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 10.2 t -125.58 -174.73 3.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.158 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 105' ' ' ASN . 2.8 p -153.05 158.88 42.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.842 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.3 mm? -66.19 99.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.469 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.8 mt-30 -80.48 -71.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.454 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -141.25 153.88 66.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 110.904 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.5 Cg_endo -69.79 177.7 5.34 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.721 2.281 . . . . 0.0 112.367 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.818 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 5.1 p90 -92.2 -40.03 11.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.606 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 25.8 mttt -65.68 -21.8 66.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.1 tt0 -32.76 128.6 0.36 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.157 0 C-N-CA 122.698 2.266 . . . . 0.0 112.394 179.954 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.513 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 46.8 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.797 0.332 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.7 p -58.93 -36.03 74.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.6 m -55.31 -20.3 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.781 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 29.7 m-70 -75.49 159.42 31.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' A' ' 124' ' ' GLU . 41.2 mt -87.45 -32.59 19.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.781 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.0 p-90 -82.06 11.8 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.408 ' HH ' ' HE2' ' A' ' 62' ' ' PHE . 12.7 t80 -107.8 94.76 5.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.754 ' HB2' ' CE1' ' A' ' 122' ' ' PHE . . . -94.49 30.52 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.071 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.31 -147.4 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 81.37 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.49 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 24.9 ttp -111.17 136.18 50.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -75.81 141.93 42.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -39.15 -54.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.37 -51.33 6.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.02 -45.91 56.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.748 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -65.49 -36.05 82.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.728 0.299 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.659 ' HA ' HG21 ' A' ' 72' ' ' VAL . 19.5 mt-10 -72.89 -23.62 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.4 t -95.7 -24.4 16.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.49 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 23.5 mt -76.33 -55.56 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.529 HD21 ' HB3' ' A' ' 51' ' ' LEU . 21.9 mt -70.56 -16.83 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.44 -53.23 11.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 45' ' ' ARG . 57.9 m-80 -81.95 -32.82 30.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.467 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 17.2 mmp_? -46.01 172.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -95.13 135.12 37.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' SER . 66.3 m-20 -35.77 124.48 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.47 ' CA ' ' HG3' ' A' ' 119' ' ' GLN . . . 113.21 -20.34 19.17 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.481 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.6 m -64.94 102.07 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.343 . . . . 0.0 111.133 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.82 ' CD2' HD12 ' A' ' 118' ' ' LEU . 23.0 p90 -90.99 152.97 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.831 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -150.15 130.2 13.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.868 HG22 HG12 ' A' ' 64' ' ' ILE . 22.4 t -96.16 130.9 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.427 ' HB3' HD12 ' A' ' 77' ' ' ILE . 34.7 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.92 0.391 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.18 151.39 29.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.868 HG12 HG22 ' A' ' 52' ' ' VAL . 14.1 mt -121.15 106.54 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 46.5 m -104.67 129.82 52.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.67 HD13 ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -134.04 164.09 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.415 ' HE2' ' HA ' ' A' ' 70' ' ' VAL . 16.9 tptm -87.61 114.56 24.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.491 ' CD2' ' OG1' ' A' ' 116' ' ' THR . 15.3 t80 -145.25 143.64 30.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.926 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER 51.32 32.65 8.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.926 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.25 25.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.8 pt-20 -143.83 143.2 31.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.659 HG21 ' HA ' ' A' ' 39' ' ' GLU . 98.1 t -82.9 97.33 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 65' ' ' SER . 28.4 mmtt -82.9 144.8 29.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -107.11 148.45 28.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.615 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.422 HG22 HG21 ' A' ' 86' ' ' ILE . 4.7 mm -126.91 101.95 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.161 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -63.35 122.67 16.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.618 HD11 HG13 ' A' ' 64' ' ' ILE . 86.3 mt -99.85 123.5 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.1 mtm -99.85 141.43 32.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 p -118.83 132.34 56.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.108 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.06 122.91 11.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.08 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 64.2 25.08 13.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.54 -10.71 73.74 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.62 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 6.4 mt -82.81 153.26 25.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.592 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 33.1 m-85 -115.51 124.39 50.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.727 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 30.9 ptt85 -161.87 130.73 4.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.5 HG22 HG12 ' A' ' 77' ' ' ILE . 6.0 pt -72.63 -17.53 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.504 HG21 ' OD2' ' A' ' 109' ' ' ASP . 5.2 t -141.43 154.87 45.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -81.32 49.03 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -112.87 -40.52 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.457 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 24.9 tptt -158.01 119.76 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.727 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -100.37 151.69 21.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.457 ' CZ ' ' HG2' ' A' ' 90' ' ' LYS . 3.9 m-85 -130.86 157.78 41.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -46.48 -46.67 19.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.19 -179.54 32.19 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.456 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.592 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.3 mm? -48.14 -60.66 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 95' ' ' LEU . 3.5 m -32.7 -55.49 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.415 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 57.9 mm-40 -64.33 -58.95 5.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.932 HD21 ' CE2' ' A' ' 102' ' ' TYR . 2.5 tm? -47.09 -62.91 1.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.485 ' N ' HD13 ' A' ' 98' ' ' LEU . 69.1 t -49.79 -42.14 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.418 ' HA ' ' NE2' ' A' ' 103' ' ' GLN . 3.3 mt-10 -58.38 -34.38 70.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.55 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 39.0 t80 -71.76 -56.64 5.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.932 ' CE2' HD21 ' A' ' 98' ' ' LEU . 18.0 m-85 -55.87 -13.14 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.434 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 37.0 mt-30 -76.44 -17.5 59.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.601 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 4.5 pt20 -115.24 -9.24 12.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.601 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 0.1 OUTLIER -130.28 140.03 50.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.594 ' HA ' HG23 ' A' ' 117' ' ' THR . 16.7 m -56.68 150.98 14.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.709 HD23 ' HA ' ' A' ' 117' ' ' THR . 1.4 mm? -83.42 -15.7 48.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 110' ' ' CYS . 43.2 pttt -41.83 -36.95 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.504 ' OD2' HG21 ' A' ' 87' ' ' THR . 12.7 t0 -35.34 -33.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.466 ' N ' ' O ' ' A' ' 108' ' ' LYS . 12.9 t -108.41 -31.97 7.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 114' ' ' LEU . 92.8 m-85 -129.43 80.24 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 113' ' ' SER . 2.1 pptp? -42.35 -38.57 1.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.463 ' N ' ' HD2' ' A' ' 112' ' ' LYS . 22.5 t -64.71 -36.58 84.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 111' ' ' PHE . 32.8 tp -99.48 96.47 7.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -99.37 67.68 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.491 ' OG1' ' CD2' ' A' ' 68' ' ' TYR . 5.9 t -125.93 -179.77 4.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.709 ' HA ' HD23 ' A' ' 107' ' ' LEU . 2.8 p -144.34 175.12 10.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.82 HD12 ' CD2' ' A' ' 50' ' ' PHE . 2.9 mm? -83.73 98.2 9.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.47 ' HG3' ' CA ' ' A' ' 48' ' ' GLY . 5.9 mt-30 -77.24 -73.03 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.47 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -143.78 154.96 59.69 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.668 0.747 . . . . 0.0 110.899 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 54.2 Cg_endo -69.76 170.89 15.52 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.377 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.754 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 7.1 p90 -82.48 -41.76 19.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.592 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 17.1 mtmt -63.05 -25.64 68.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.479 ' HA ' HD13 ' A' ' 27' ' ' LEU . 2.0 tt0 -32.66 128.01 0.36 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.335 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.521 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 45.8 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.824 0.345 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.0 t -56.34 -37.2 69.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.4 m -53.82 -28.38 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.792 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 30.4 m-70 -68.31 161.59 27.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 124' ' ' GLU . 67.5 mt -89.28 -33.38 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.792 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 4.9 p-90 -81.82 19.07 1.14 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -114.92 95.59 5.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.722 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -94.73 39.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.111 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.08 -150.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 94.73 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.358 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.503 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 33.8 ttp -127.22 144.16 51.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -81.64 172.37 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.585 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 44.5 ttp180 -62.32 -57.95 9.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.75 -50.05 4.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -50.7 -56.94 11.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.48 -40.13 77.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.73 0.3 . . . . 0.0 111.071 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.707 ' HA ' HG21 ' A' ' 72' ' ' VAL . 21.0 mt-10 -66.78 -24.21 66.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.7 t -94.33 -24.18 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.503 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 40.5 mt -76.3 -52.37 17.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.63 HD12 HG13 ' A' ' 72' ' ' VAL . 20.2 mt -75.77 -11.02 59.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.6 -50.06 44.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -85.16 -31.27 23.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.528 ' HD2' HG21 ' A' ' 49' ' ' THR . 85.9 mmt-85 -46.81 172.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.1 m -96.21 137.07 35.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -37.9 123.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.463 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 113.87 -20.26 17.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.523 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.603 ' O ' HD22 ' A' ' 42' ' ' LEU . 20.4 m -65.26 99.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.848 0.356 . . . . 0.0 111.134 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.728 ' CD2' HD12 ' A' ' 118' ' ' LEU . 26.1 p90 -88.32 153.51 21.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.809 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -153.38 128.6 9.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.955 HG22 HG12 ' A' ' 64' ' ' ILE . 12.0 t -94.41 130.74 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.5 ptt85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.942 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.615 ' HB3' HD12 ' A' ' 77' ' ' ILE . 53.4 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.893 0.378 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.73 134.93 11.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.955 HG12 HG22 ' A' ' 52' ' ' VAL . 20.1 mt -105.5 111.74 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 24.9 m -108.83 131.91 54.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.676 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -134.73 169.1 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -92.28 115.76 28.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.583 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 10.5 t80 -144.65 142.3 30.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.896 ' O ' HG22 ' A' ' 70' ' ' VAL . 8.2 t-20 50.83 34.06 9.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.896 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 64.87 24.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.1 pt-20 -142.23 140.89 32.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.707 HG21 ' HA ' ' A' ' 39' ' ' GLU . 96.5 t -82.68 97.63 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 65' ' ' SER . 22.3 mmtt -83.16 152.41 25.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.585 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 50.6 m-70 -113.97 148.19 37.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.598 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.528 HG22 HG21 ' A' ' 86' ' ' ILE . 4.5 mm -122.5 101.84 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.113 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -62.9 123.32 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.615 HD12 ' HB3' ' A' ' 62' ' ' PHE . 81.5 mt -100.4 131.8 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.7 mtm -111.73 139.13 47.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.465 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.2 p -109.29 129.34 55.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.74 129.77 18.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 62.96 25.33 15.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.01 1.27 89.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.551 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . 7.8 mt -100.85 163.8 12.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.465 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 97.2 m-85 -115.41 127.02 55.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.758 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 8.6 ptt180 -163.48 125.64 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.548 HD11 ' SG ' ' A' ' 110' ' ' CYS . 11.7 pt -67.78 -21.03 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.456 ' CG2' ' SG ' ' A' ' 110' ' ' CYS . 6.4 t -132.19 147.37 52.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -77.91 44.84 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.85 -36.2 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.64 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -155.72 130.37 9.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.758 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -115.31 142.88 46.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.64 ' CZ ' ' HG2' ' A' ' 90' ' ' LYS . 1.2 m-85 -122.05 169.54 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.404 ' CD ' ' H ' ' A' ' 93' ' ' ARG . 2.1 mpt_? -59.19 -55.81 30.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.23 174.45 23.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.1 mm? -46.21 -55.58 6.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 95' ' ' LEU . 3.3 m -32.94 -47.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -75.95 -61.08 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.692 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.7 tm? -38.5 -46.71 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.815 HG13 ' HG ' ' A' ' 118' ' ' LEU . 31.3 t -70.09 -44.14 78.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 103' ' ' GLN . 3.1 mt-10 -52.13 -36.78 52.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.547 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 35.3 t80 -71.32 -57.6 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.72 ' HB3' HD21 ' A' ' 107' ' ' LEU . 19.8 m-85 -56.22 -12.89 1.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.717 HE21 HG12 ' A' ' 99' ' ' VAL . 61.5 mt-30 -76.39 -19.82 57.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.538 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 1.4 pt20 -110.55 -15.98 13.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -123.63 129.4 51.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.718 ' HA ' HG23 ' A' ' 117' ' ' THR . 48.2 t -51.9 141.05 18.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.72 HD21 ' HB3' ' A' ' 102' ' ' TYR . 1.3 mm? -74.01 -14.74 61.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 18.5 pttp -42.29 -49.04 5.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.481 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 32.9 t0 -34.34 -42.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.548 ' SG ' HD11 ' A' ' 86' ' ' ILE . 3.8 m -90.05 -33.28 16.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 108' ' ' LYS . 83.0 m-85 -135.0 81.74 1.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -42.86 -37.13 1.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 81.1 p -67.2 -35.42 79.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 111' ' ' PHE . 15.3 tp -101.42 96.4 7.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.22 74.41 1.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.583 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 7.9 t -136.42 167.37 21.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.718 HG23 ' HA ' ' A' ' 106' ' ' SER . 0.8 OUTLIER -134.62 151.96 51.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.815 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.7 mm? -60.62 87.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.463 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 7.4 mt-30 -68.13 -73.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.441 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -143.7 155.18 59.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.657 0.741 . . . . 0.0 110.853 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.476 ' O ' HG23 ' A' ' 49' ' ' THR . 53.9 Cg_endo -69.75 174.6 9.26 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.313 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.722 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 9.3 p90 -90.86 -41.47 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.831 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 23.9 mttt -61.32 -24.88 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.4 tt0 -31.81 127.16 0.33 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.145 0 C-N-CA 122.738 2.292 . . . . 0.0 112.348 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -147.37 141.61 26.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 p -92.31 161.43 14.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.96 164.71 28.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -131.56 114.39 14.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.371 . . . . 0.0 110.837 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 t -153.06 140.32 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.19 153.59 5.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.77 142.92 26.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.321 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.08 174.17 6.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.082 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.5 177.42 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.2 136.97 32.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.065 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -119.5 89.91 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -140.86 109.44 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -74.44 96.34 2.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.569 ' O ' ' CG ' ' A' ' 15' ' ' TRP . 5.8 t-105 -115.02 0.34 13.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 16.6 t-105 -88.24 173.82 8.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 18' ' ' GLY . 15.0 pt-20 -79.04 43.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.33 144.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.62 18.51 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.0 Cg_endo -69.85 -170.28 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.466 ' NE2' HD21 ' A' ' 23' ' ' LEU . 4.6 pt20 -35.9 131.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.949 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.443 ' O ' HG22 ' A' ' 25' ' ' VAL . 3.8 m-20 -83.85 89.29 7.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.466 HD21 ' NE2' ' A' ' 21' ' ' GLN . 96.0 mt -49.62 -19.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.9 p -59.65 -32.58 70.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 22' ' ' ASP . 16.5 m -54.38 -21.94 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.611 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 24.7 m-70 -75.23 159.5 31.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 124' ' ' GLU . 72.5 mt -86.26 -32.01 21.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.611 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.1 p-90 -84.86 18.58 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -111.97 95.45 5.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.78 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -101.69 35.85 2.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 34.25 -151.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 88.55 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.362 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.509 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 29.2 ttp -112.54 140.04 47.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -78.18 149.1 33.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 36' ' ' ALA . 32.7 ttp180 -41.49 -61.37 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . -35.03 -58.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.67 -62.45 3.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.562 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -52.76 -33.91 50.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.708 0.289 . . . . 0.0 111.05 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.782 ' HA ' HG21 ' A' ' 72' ' ' VAL . 59.3 mt-10 -75.22 -27.09 59.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.7 t -94.37 -17.94 22.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.509 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 16.8 mt -81.36 -54.49 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.664 HD11 HD23 ' A' ' 51' ' ' LEU . 18.2 mt -78.14 -13.05 60.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -50.56 -47.7 57.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -87.15 -31.52 20.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.423 ' HD2' HG21 ' A' ' 49' ' ' THR . 17.9 mmt180 -48.22 177.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -98.07 137.1 37.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -37.44 127.82 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.447 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 111.75 -20.3 22.54 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.423 HG21 ' HD2' ' A' ' 45' ' ' ARG . 14.4 m -65.23 104.52 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 111.128 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.644 ' HB2' HG22 ' A' ' 66' ' ' ILE . 22.6 p90 -94.96 154.96 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.664 HD23 HD11 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -153.21 129.68 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.549 HG22 HG12 ' A' ' 64' ' ' ILE . 21.0 t -99.93 128.68 51.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.0 ptt85 -132.17 168.49 17.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.642 ' HG2' ' HB3' ' A' ' 60' ' ' ALA . 3.7 tt0 -109.16 177.56 4.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 56' ' ' VAL . 21.5 mmt180 -96.14 67.09 2.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 56' ' ' VAL . 22.1 t 33.67 47.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.584 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 23.8 mttp -160.67 159.82 30.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.02 131.23 44.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 38.51 39.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.642 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . . . -78.51 -177.07 5.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -57.32 102.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.551 ' HB3' HD12 ' A' ' 77' ' ' ILE . 60.3 m-85 -62.66 155.11 27.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.37 136.44 21.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.059 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.919 HG13 HD11 ' A' ' 77' ' ' ILE . 59.3 mt -103.99 124.06 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 9.3 t -127.81 131.67 49.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.663 HD13 ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -137.47 168.87 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -88.47 112.71 23.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.593 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 20.0 t80 -144.23 144.17 31.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.823 ' O ' HG22 ' A' ' 70' ' ' VAL . 7.3 t-20 51.32 32.68 8.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.827 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.8 OUTLIER 63.97 24.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 5.0 pt-20 -143.41 137.58 28.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.782 HG21 ' HA ' ' A' ' 39' ' ' GLU . 58.0 t -78.03 96.62 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 65' ' ' SER . 26.2 mmtt -82.84 157.66 23.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -133.28 148.02 51.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 109.565 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.579 HG23 ' CE2' ' A' ' 111' ' ' PHE . 15.9 mt -131.24 134.12 61.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.116 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -77.09 141.31 40.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.919 HD11 HG13 ' A' ' 64' ' ' ILE . 96.7 mt -112.87 115.59 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.4 mtm -93.91 139.52 30.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 p -116.96 132.25 56.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.85 123.43 12.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 64.31 25.01 13.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.01 -12.53 68.81 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.625 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 4.2 mt -83.3 154.45 24.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.807 0.337 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -116.02 127.97 55.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.76 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 3.3 ptt180 -162.1 132.03 4.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.47 HD13 HG21 ' A' ' 75' ' ' ILE . 6.1 pt -72.71 -22.35 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.407 HG23 ' HB2' ' A' ' 89' ' ' LYS . 7.9 t -134.4 151.35 51.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -77.78 46.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' HB2' HG23 ' A' ' 87' ' ' THR . 24.6 mmtt -108.51 -44.66 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.578 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.8 tmtt? -156.65 128.11 7.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.76 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -104.9 156.76 17.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.611 ' CE1' HD23 ' A' ' 98' ' ' LEU . 3.1 m-85 -133.46 163.58 29.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 37.5 mmt-85 -49.96 -49.22 51.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.475 ' N ' ' OE1' ' A' ' 97' ' ' GLU . . . -157.47 179.95 32.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.5 mm? -45.22 -62.56 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.1 m -34.84 -46.28 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 94' ' ' GLY . 25.4 mp0 -72.01 -57.15 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.611 HD23 ' CE1' ' A' ' 92' ' ' PHE . 1.7 tm? -47.97 -57.51 5.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.926 HG13 ' HG ' ' A' ' 118' ' ' LEU . 95.5 t -56.92 -49.53 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.423 ' HA ' ' CD ' ' A' ' 103' ' ' GLN . 4.4 mt-10 -51.24 -33.74 29.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.528 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 79.6 t80 -70.34 -51.79 27.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.552 ' CB ' HD23 ' A' ' 118' ' ' LEU . 10.2 m-85 -61.11 -25.29 66.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.423 ' CD ' ' HA ' ' A' ' 100' ' ' GLU . 74.9 mt-30 -56.02 -13.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -117.41 -22.82 8.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -119.25 131.62 55.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.477 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 4.6 t -59.17 154.84 15.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.451 HD12 HD13 ' A' ' 86' ' ' ILE . 1.7 mm? -79.3 -11.0 59.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -43.32 -33.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -45.05 -40.51 6.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.4 t -96.39 -33.64 11.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.579 ' CE2' HG23 ' A' ' 75' ' ' ILE . 99.1 m-85 -133.67 82.2 1.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -39.88 -32.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.444 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 14.4 t -69.07 -41.01 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 111' ' ' PHE . 10.9 tp -92.32 91.0 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.97 73.92 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.593 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 11.8 t -129.99 -178.84 4.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.477 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 6.8 p -149.01 145.75 27.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.926 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.6 mm? -59.37 100.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.447 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 12.8 mt-30 -85.45 -72.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -141.54 151.86 61.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.678 0.751 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.0 Cg_endo -69.81 162.97 40.04 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.65 2.233 . . . . 0.0 112.319 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.78 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 16.1 p90 -74.97 -37.74 61.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.598 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 13.8 mtmt -67.87 -23.97 65.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.463 ' HA ' HD13 ' A' ' 27' ' ' LEU . 1.8 tt0 -33.68 126.77 0.44 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 126' ' ' GLU . 54.2 Cg_endo -69.7 149.26 67.05 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 125' ' ' PRO . 2.0 tp10 -35.44 151.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 68.33 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 10.8 tpt85 -121.51 85.69 2.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 130' ' ' ILE . 3.0 t -129.63 116.69 19.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 129' ' ' THR . 66.8 mt -37.28 -46.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.5 t -130.51 138.5 50.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.32 161.93 23.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 55.8 p -92.38 154.84 18.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 177.16 71.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 102.81 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 38.1 p -72.34 141.39 48.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 54.7 p -71.34 -50.82 28.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.797 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -46.02 -55.95 6.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.3 m -60.9 110.99 1.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.07 164.39 12.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -84.18 -51.14 7.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 110.83 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.2 p 39.85 42.04 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.12 75.46 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.502 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -137.99 166.18 24.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.764 0.316 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.7 104.44 11.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.057 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -101.08 150.1 23.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -170.46 136.85 1.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -123.84 106.34 10.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -91.24 111.27 22.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.593 ' ND2' ' H ' ' A' ' 16' ' ' TRP . 28.7 t30 -58.24 148.33 27.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.552 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 7.6 p-90 -133.02 37.67 3.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.593 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 13.0 t-105 -98.15 134.9 40.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.91 -47.64 74.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.34 161.53 22.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 166.84 26.23 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.662 2.242 . . . . 0.0 112.328 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -172.06 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.719 2.28 . . . . 0.0 112.374 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -45.77 169.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -78.16 99.65 6.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.546 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 73.3 mt -98.59 -15.58 19.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.3 t -62.28 -36.89 83.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.7 m -53.11 -22.9 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.142 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.546 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 39.3 m-70 -75.81 158.9 31.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.571 HD13 ' HA ' ' A' ' 124' ' ' GLU . 76.6 mt -86.77 -32.17 20.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 8.1 p-90 -84.99 20.09 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 23' ' ' LEU . 13.4 t80 -112.62 97.76 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.744 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -104.69 33.24 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.91 -152.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 87.68 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.649 2.232 . . . . 0.0 112.358 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.419 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 31.6 ttp -111.83 145.63 39.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -74.09 168.53 19.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -63.76 -52.42 60.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.57 -46.07 38.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.61 -56.45 15.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.457 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.636 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -61.25 -38.22 85.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.72 0.295 . . . . 0.0 111.08 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.814 ' HA ' HG21 ' A' ' 72' ' ' VAL . 17.9 mt-10 -69.97 -24.32 63.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.7 m -95.48 -26.19 15.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.419 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 48.7 mt -73.87 -54.84 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.54 HD12 HG13 ' A' ' 72' ' ' VAL . 23.2 mt -74.07 -12.28 60.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -48.63 -52.87 20.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -82.77 -31.41 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.481 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 11.5 mmt-85 -46.61 170.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.3 m -94.62 136.12 35.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.85 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 46' ' ' SER . 38.6 t70 -35.67 126.85 0.66 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.457 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 110.57 -19.09 26.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.455 ' O ' HD22 ' A' ' 42' ' ' LEU . 12.3 m -65.26 102.0 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 0.0 111.168 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.821 ' CD2' HD12 ' A' ' 118' ' ' LEU . 23.5 p90 -91.22 153.99 19.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.822 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -151.49 127.22 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.939 HG22 HG12 ' A' ' 64' ' ' ILE . 18.9 t -98.35 133.37 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.433 ' HD3' HD11 ' A' ' 51' ' ' LEU . 39.4 ptt85 -138.85 168.94 18.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.658 ' NE2' ' CZ ' ' A' ' 62' ' ' PHE . 3.6 tt0 -110.26 176.44 5.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -103.39 62.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.733 HG12 ' O ' ' A' ' 56' ' ' VAL . 58.2 t 37.17 46.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.718 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 33.0 mmtt -151.33 136.87 17.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -53.99 114.65 1.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 53.52 41.44 32.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.718 ' HB2' ' CB ' ' A' ' 57' ' ' LYS . . . -74.62 177.54 6.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -60.63 84.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.664 ' HB3' HD12 ' A' ' 77' ' ' ILE . 73.6 m-85 -39.91 161.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.2 129.63 12.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.939 HG12 HG22 ' A' ' 52' ' ' VAL . 17.6 mt -99.78 133.06 44.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.1 m -137.0 125.86 24.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.689 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -128.68 164.8 29.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.447 ' HE3' ' C ' ' A' ' 70' ' ' VAL . 21.6 tptt -84.18 115.23 22.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.573 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 22.8 t80 -145.38 140.77 27.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.871 ' O ' HG22 ' A' ' 70' ' ' VAL . 15.5 t30 52.13 30.51 7.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.871 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 65.42 24.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -141.42 129.19 21.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.814 HG21 ' HA ' ' A' ' 39' ' ' GLU . 95.2 t -74.76 99.27 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.62 ' NZ ' HD13 ' A' ' 114' ' ' LEU . 6.8 mmtp -83.39 157.28 22.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -129.31 143.5 50.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.594 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.492 HG21 HD13 ' A' ' 86' ' ' ILE . 17.8 mt -129.2 128.96 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.11 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.437 ' O ' HG22 ' A' ' 86' ' ' ILE . 13.8 ttmm -75.28 138.02 41.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.691 HD11 HG13 ' A' ' 64' ' ' ILE . 91.3 mt -109.03 104.08 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 mtm -78.62 157.17 28.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 83' ' ' LEU . 2.2 p -132.22 143.4 49.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -158.72 126.03 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 63.86 24.96 13.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.51 18.98 62.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.537 ' O ' HG22 ' A' ' 79' ' ' THR . 6.3 mt -109.59 166.25 11.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.819 0.342 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -126.8 123.23 36.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.538 ' NE ' ' HB2' ' A' ' 91' ' ' ALA . 20.4 ptt180 -161.67 126.33 3.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.531 HG12 ' CE2' ' A' ' 102' ' ' TYR . 4.7 pt -63.98 -24.57 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.0 t -135.83 153.75 51.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.441 ' CD ' ' H ' ' A' ' 88' ' ' GLU . 2.7 pm0 -79.22 43.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.404 ' HA ' ' CE ' ' A' ' 89' ' ' LYS . 2.4 mmpt? -104.18 -37.3 7.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.435 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 20.7 tptt -163.01 119.94 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.538 ' HB2' ' NE ' ' A' ' 85' ' ' ARG . . . -98.0 153.39 18.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' A' ' 101' ' ' PHE . 3.6 m-85 -131.84 160.41 35.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -53.91 -43.06 69.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.34 -178.44 27.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.502 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.481 HD11 HD13 ' A' ' 77' ' ' ILE . 1.5 mm? -56.85 -61.33 2.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.372 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.458 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.9 m -32.82 -42.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -77.9 -57.76 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.559 HD11 ' HE2' ' A' ' 102' ' ' TYR . 2.5 tm? -45.69 -50.56 13.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.831 HG13 ' HG ' ' A' ' 118' ' ' LEU . 45.4 t -61.46 -44.16 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -50.94 -44.72 60.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.509 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 33.8 t80 -62.31 -42.63 99.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.559 ' HE2' HD11 ' A' ' 98' ' ' LEU . 11.4 m-85 -69.92 -23.03 63.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.533 HE21 HG12 ' A' ' 99' ' ' VAL . 73.5 mt-30 -67.2 -9.52 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.504 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.6 pt20 -118.23 -18.79 9.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.504 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 15.6 m-80 -121.72 144.49 48.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.8 m -70.7 139.78 51.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.409 HD12 HD13 ' A' ' 75' ' ' ILE . 2.2 mm? -63.58 -11.16 22.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.936 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -42.26 -33.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -44.81 -41.03 6.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.9 t -95.57 -35.33 11.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 114' ' ' LEU . 86.1 m-85 -134.35 86.3 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.815 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -43.09 -44.45 4.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.3 p -57.98 -34.42 69.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.62 HD13 ' NZ ' ' A' ' 73' ' ' LYS . 16.1 tp -100.95 95.3 6.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.98 80.27 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.573 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 9.9 t -131.73 -179.39 5.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 27.2 p -147.87 153.32 38.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.831 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.2 mm? -66.81 89.57 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.457 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.5 mt-30 -70.88 -72.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.434 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 1.0 OUTLIER -142.79 154.38 62.41 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.638 0.732 . . . . 0.0 110.896 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 54.2 Cg_endo -69.76 167.03 25.6 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.385 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.744 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 15.1 p90 -80.75 -38.87 27.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.604 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 18.2 mttm -65.2 -26.12 68.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.571 ' HA ' HD13 ' A' ' 27' ' ' LEU . 2.5 tt0 -31.65 128.03 0.31 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.731 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 149.23 66.38 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.339 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -46.26 144.93 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.2 pttm -109.43 147.76 32.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -162.29 167.76 23.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 10.4 t -81.42 41.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 49.5 mm -104.03 123.05 57.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.5 t -60.1 105.47 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.407 ' C ' ' HD2' ' A' ' 132' ' ' ARG . 7.1 tmm_? -124.86 134.92 52.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.8 t -78.39 -61.66 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.05 -151.51 37.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 146.19 59.13 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.2 p -158.36 148.09 19.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 43.8 t -143.51 119.22 10.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 t 66.22 43.23 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 p -114.48 152.16 32.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.25 -141.26 12.54 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 m -67.44 154.47 41.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.362 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 p -64.6 -53.15 52.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.73 -133.2 10.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -150.71 168.57 23.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.0 171.75 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.093 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -84.91 170.23 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.09 173.78 6.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.07 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -44.39 113.21 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.402 ' O ' ' CD ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -98.86 41.33 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -92.55 113.84 26.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.549 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 8.3 p-90 -112.75 37.62 3.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -94.3 161.85 14.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.95 38.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 148.09 156.12 6.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 135.89 31.5 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.38 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -178.17 2.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.345 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -68.56 143.76 54.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -83.56 113.33 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.575 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 97.5 mt -98.56 -28.78 13.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.538 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 11.2 t -58.59 -33.8 70.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.1 m -57.24 -19.16 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.635 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 27.8 m-70 -76.35 159.44 30.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.56 HD13 ' HA ' ' A' ' 124' ' ' GLU . 84.5 mt -84.47 -35.0 23.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.635 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 7.6 p-90 -81.92 19.19 1.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 24' ' ' SER . 22.2 t80 -114.23 94.81 4.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.933 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.796 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -98.27 36.16 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.136 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.32 -151.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.51 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 109.71 2.38 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.45 ' CE ' ' CD1' ' A' ' 41' ' ' ILE . 21.7 ttp -136.82 147.47 46.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -79.06 170.14 17.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ALA . 25.4 ttm180 -59.51 -62.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . -36.98 -58.06 0.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -42.48 -61.88 2.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.52 -45.92 56.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.738 0.304 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.575 ' HA ' HG11 ' A' ' 72' ' ' VAL . 21.8 mt-10 -66.35 -22.5 66.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.9 t -93.71 -19.6 20.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.948 HG22 HD13 ' A' ' 42' ' ' LEU . 45.9 mt -73.39 -59.27 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.981 HD21 HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -77.37 -2.48 35.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.85 -40.4 63.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -99.83 -26.51 14.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.472 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 27.0 mmm180 -52.95 171.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.77 141.41 28.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -40.44 122.05 1.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.429 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 117.95 -19.27 11.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 m -65.13 114.02 4.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 111.159 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.877 ' CD2' HD12 ' A' ' 118' ' ' LEU . 15.8 p90 -107.51 152.26 24.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.981 HD23 HD21 ' A' ' 42' ' ' LEU . 1.1 pp -152.92 130.76 11.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.822 HG22 HG12 ' A' ' 64' ' ' ILE . 21.9 t -97.61 145.32 9.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.1 ptt85 -147.46 164.3 33.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.588 ' OE1' ' CZ ' ' A' ' 62' ' ' PHE . 3.8 tt0 -100.03 165.34 11.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.782 ' O ' HG12 ' A' ' 56' ' ' VAL . 4.2 tpt85 -75.97 46.91 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.782 HG12 ' O ' ' A' ' 55' ' ' ARG . 5.2 p 50.29 25.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 22.6 mmtp -148.03 148.76 31.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 59' ' ' ALA . 8.2 m-20 -47.31 133.02 12.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.19 46.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.601 ' HB1' ' HB3' ' A' ' 55' ' ' ARG . . . -88.45 151.8 22.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.067 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 60' ' ' ALA . 12.1 pt-20 -32.85 97.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.588 ' CZ ' ' OE1' ' A' ' 54' ' ' GLN . 68.9 m-85 -58.38 166.53 1.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.95 136.3 12.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.822 HG12 HG22 ' A' ' 52' ' ' VAL . 21.1 mt -105.27 132.98 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.6 m -135.02 131.75 37.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.756 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -135.77 168.82 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 42' ' ' LEU . 13.9 tptm -85.29 116.57 23.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.574 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 13.1 t80 -145.18 138.05 26.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.888 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER 51.5 31.71 7.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.888 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 65.94 25.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 68' ' ' TYR . 3.2 pt-20 -141.46 130.7 23.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.575 HG11 ' HA ' ' A' ' 39' ' ' GLU . 69.9 t -74.71 100.02 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.149 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -83.37 157.59 22.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.449 ' CE1' ' HG2' ' A' ' 39' ' ' GLU . 7.7 m-70 -131.15 143.56 50.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.575 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.508 HG21 HD12 ' A' ' 86' ' ' ILE . 35.4 mt -127.22 130.29 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.111 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.429 ' O ' HG22 ' A' ' 86' ' ' ILE . 24.8 ttpt -76.73 136.5 39.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.767 HD11 HG13 ' A' ' 64' ' ' ILE . 96.5 mt -112.49 122.48 66.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 mtm -98.32 156.88 16.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.6 p -130.07 141.43 50.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.172 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.44 ' O ' HD12 ' A' ' 83' ' ' LEU . . . -159.49 126.65 4.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 64.21 25.02 13.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.8 21.53 59.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.591 ' O ' HG22 ' A' ' 79' ' ' THR . 4.3 mt -112.56 169.35 8.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.49 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 46.3 m-85 -132.51 122.79 25.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.719 ' NE ' ' HB2' ' A' ' 91' ' ' ALA . 21.5 ptt180 -161.32 132.59 5.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.508 HD12 HG21 ' A' ' 75' ' ' ILE . 19.2 pt -71.68 -20.14 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.2 t -135.88 148.56 48.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.42 ' CD ' ' H ' ' A' ' 88' ' ' GLU . 1.4 pm0 -78.01 46.46 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -112.49 -41.17 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -152.09 120.68 6.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.719 ' HB2' ' NE ' ' A' ' 85' ' ' ARG . . . -105.15 150.5 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.623 ' CE1' HD23 ' A' ' 98' ' ' LEU . 4.9 m-85 -127.79 158.08 38.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -49.1 -43.4 41.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.52 176.83 34.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.49 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.1 mm? -49.54 -57.56 6.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.458 ' C ' ' O ' ' A' ' 95' ' ' LEU . 5.5 m -33.17 -44.62 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.412 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 6.1 mm-40 -75.54 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.623 HD23 ' CE1' ' A' ' 92' ' ' PHE . 1.8 tm? -43.86 -50.31 7.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.82 HG13 ' HG ' ' A' ' 118' ' ' LEU . 55.5 t -65.62 -46.85 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -55.66 -34.08 64.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.41 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 53.7 t80 -69.19 -50.05 51.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.509 ' CB ' HD23 ' A' ' 118' ' ' LEU . 9.7 m-85 -62.47 -26.01 68.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.41 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 73.3 mt-30 -56.8 -14.05 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -115.23 -25.34 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.479 ' O ' HG22 ' A' ' 117' ' ' THR . 0.6 OUTLIER -116.8 140.01 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.692 ' HA ' HG23 ' A' ' 117' ' ' THR . 9.1 t -70.78 141.92 51.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.416 ' N ' ' CD2' ' A' ' 107' ' ' LEU . 1.5 mm? -65.49 -7.09 12.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.9 pttt -42.55 -42.39 3.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -43.59 -48.93 7.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.432 ' SG ' HD11 ' A' ' 86' ' ' ILE . 3.8 m -80.27 -38.38 31.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' A' ' 114' ' ' LEU . 83.3 m-85 -134.35 87.48 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -42.79 -30.77 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.433 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 47.7 t -72.87 -36.84 67.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 111' ' ' PHE . 6.2 tp -95.78 89.53 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -99.19 74.65 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.574 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 6.1 t -133.36 -177.85 4.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.692 HG23 ' HA ' ' A' ' 106' ' ' SER . 1.1 p -149.99 158.49 44.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.877 HD12 ' CD2' ' A' ' 50' ' ' PHE . 2.1 mm? -70.25 93.82 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.429 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.2 mt-30 -75.46 -72.05 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -141.54 149.63 54.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.667 0.746 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.9 Cg_endo -69.74 171.13 15.01 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.697 2.264 . . . . 0.0 112.369 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.796 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 11.7 p90 -87.95 -42.52 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.603 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 15.7 mttm -60.41 -24.86 65.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.56 ' HA ' HD13 ' A' ' 27' ' ' LEU . 3.2 tm-20 -33.0 133.72 0.3 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.627 0.727 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 126' ' ' GLU . 53.8 Cg_endo -69.77 150.28 67.92 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 125' ' ' PRO . 5.3 tt0 -36.99 153.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm -115.86 40.01 2.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -53.53 149.5 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 129' ' ' THR . 11.4 t -80.93 43.14 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 47.8 mt -99.08 -56.83 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.3 m -165.16 143.75 6.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 133' ' ' SER . 23.8 mmt85 -42.83 140.63 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 132' ' ' ARG . 3.6 t -37.81 -62.07 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.831 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 172.17 -178.26 44.44 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -17.7 37.12 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.668 2.245 . . . . 0.0 112.327 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 36.6 m -158.77 140.65 13.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 30.1 p -60.82 -48.6 81.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.1 p -157.77 130.2 7.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 110.895 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p -152.91 156.45 38.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.81 -175.9 19.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -173.22 137.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.3 p -118.88 136.5 54.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.72 115.76 0.64 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -167.8 147.17 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.79 99.16 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -140.88 163.64 32.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 56.28 28.51 13.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -60.71 110.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -50.37 151.52 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -148.5 150.48 33.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.568 ' O ' ' CG ' ' A' ' 15' ' ' TRP . 5.9 t-105 -113.32 0.26 14.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -88.83 142.47 27.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 18' ' ' GLY . 8.3 pt-20 -63.0 -40.59 98.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.444 ' N ' ' HG3' ' A' ' 17' ' ' GLU . . . 132.72 158.7 8.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 167.49 24.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.34 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -172.9 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.651 2.234 . . . . 0.0 112.383 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -42.63 127.64 3.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -99.54 107.92 20.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.562 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 94.9 mt -98.6 -23.79 15.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.403 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 48.2 t -58.61 -36.06 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.8 m -53.93 -31.97 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.67 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 22.6 m-70 -64.01 164.2 10.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' A' ' 124' ' ' GLU . 83.3 mt -89.72 -33.92 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.67 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.9 p-90 -82.53 19.41 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.55 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 12.2 t80 -115.24 94.48 4.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.716 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -92.17 26.39 2.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.99 -144.98 0.38 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 94.07 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.651 2.234 . . . . 0.0 112.327 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.496 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 33.6 ttp -128.8 140.16 51.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -80.35 167.62 20.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.438 ' NH1' ' HB3' ' A' ' 35' ' ' ARG . 17.3 ttp-105 -54.07 -56.65 16.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 37' ' ' GLY . . . -40.41 -65.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.06 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' ALA . . . -37.16 -51.91 1.64 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.59 99.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.741 0.305 . . . . 0.0 111.094 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.941 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 21.0 mt-10 -69.37 -22.96 63.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.5 t -95.48 -24.42 16.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.496 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 21.3 mt -79.26 -55.82 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.536 HD13 ' HA ' ' A' ' 66' ' ' ILE . 23.6 mt -75.88 -17.0 59.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.941 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -50.8 -47.18 59.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -86.54 -32.51 20.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.469 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 11.6 mmp_? -47.52 175.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.08 136.79 33.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -38.83 127.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.451 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 112.44 -20.99 20.19 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.0 m -65.21 107.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 111.183 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.799 ' CD2' HD12 ' A' ' 118' ' ' LEU . 20.5 p90 -97.25 153.1 18.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.809 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -151.21 128.22 11.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.805 HG22 HG12 ' A' ' 64' ' ' ILE . 24.3 t -94.83 121.68 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.438 HH21 ' CG ' ' A' ' 74' ' ' HIS . 21.6 ptt85 -122.84 161.63 23.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.59 ' CG ' ' HB3' ' A' ' 60' ' ' ALA . 35.6 tt0 -141.23 109.36 5.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.499 ' HB2' ' HB1' ' A' ' 60' ' ' ALA . 5.3 mpt_? -39.25 160.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 56' ' ' VAL . 31.0 m -88.29 60.13 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 56' ' ' VAL . 9.2 mptt -142.76 167.52 21.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -41.09 118.89 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.481 ' O ' ' C ' ' A' ' 60' ' ' ALA . . . 35.59 37.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.59 ' HB3' ' CG ' ' A' ' 54' ' ' GLN . . . -30.12 123.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.99 101.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.605 ' HB3' HD12 ' A' ' 77' ' ' ILE . 42.3 m-85 -41.9 163.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.431 ' N ' HD12 ' A' ' 77' ' ' ILE . . . -157.51 136.66 11.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.049 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.805 HG12 HG22 ' A' ' 52' ' ' VAL . 13.1 mt -103.14 106.72 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -107.58 132.15 53.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.69 HD13 ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -138.1 164.98 26.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.137 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.457 ' NZ ' ' O ' ' A' ' 43' ' ' ALA . 19.3 tptm -86.93 112.88 22.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -143.9 145.5 32.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.918 ' O ' HG22 ' A' ' 70' ' ' VAL . 19.7 t30 51.51 31.85 8.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.918 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.05 25.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.2 pt-20 -144.11 140.35 29.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.69 HG21 ' HA ' ' A' ' 39' ' ' GLU . 62.1 t -79.68 96.85 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -83.27 153.48 24.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.438 ' CG ' HH21 ' A' ' 53' ' ' ARG . 24.8 m-70 -119.03 143.76 46.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.617 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.413 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 3.7 mm -122.77 104.41 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -59.51 136.14 57.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.605 HD12 ' HB3' ' A' ' 62' ' ' PHE . 95.7 mt -112.52 127.04 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.9 mtm -104.73 139.45 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 p -116.98 138.3 51.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.184 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -154.99 129.97 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 62.39 25.05 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.27 9.88 83.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.8 mt -103.89 160.09 15.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.476 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 81.9 m-85 -116.87 126.19 52.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.536 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 38.2 ptt85 -161.73 134.91 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.436 HG22 HG12 ' A' ' 77' ' ' ILE . 5.0 pt -79.21 -15.86 13.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.1 t -143.86 151.52 39.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.52 46.18 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.48 ' CE ' ' HB2' ' A' ' 109' ' ' ASP . 17.6 mtmm -113.06 -35.72 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 25.0 tptt -159.8 128.91 5.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.536 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -110.87 150.58 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 90' ' ' LYS . 5.3 m-85 -129.21 162.94 26.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -55.53 -44.74 76.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.3 177.77 31.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.476 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.3 mm? -51.02 -58.43 6.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.3 m -32.75 -46.55 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -74.84 -61.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.672 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.5 tm? -40.15 -49.12 2.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.959 HG13 ' HG ' ' A' ' 118' ' ' LEU . 58.9 t -65.1 -44.08 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -50.66 -45.9 58.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -62.22 -45.76 91.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.672 ' CE2' HD21 ' A' ' 98' ' ' LEU . 10.9 m-85 -69.04 -21.74 64.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.458 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 75.9 mt-30 -69.41 -11.31 60.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.482 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.7 pt20 -116.77 -19.02 10.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.585 ' O ' HG22 ' A' ' 117' ' ' THR . 13.8 m-80 -122.92 147.3 46.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.65 ' HA ' HG23 ' A' ' 117' ' ' THR . 3.8 m -64.27 147.89 51.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.603 HD21 ' HB3' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -77.88 -12.47 59.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.912 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -41.63 -37.03 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.48 ' HB2' ' CE ' ' A' ' 89' ' ' LYS . 12.0 p-10 -37.74 -40.57 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 5.6 t -95.88 -33.53 12.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 114' ' ' LEU . 92.1 m-85 -131.68 80.72 1.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -41.16 -30.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.451 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 66.7 m -73.44 -38.57 65.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 111' ' ' PHE . 25.3 tp -98.28 96.87 8.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -101.21 75.88 1.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 117' ' ' THR . 14.8 t -123.62 -173.96 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.65 HG23 ' HA ' ' A' ' 106' ' ' SER . 1.8 p -155.8 144.75 20.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.959 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.7 mm? -58.13 96.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.451 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.6 mt-30 -78.08 -74.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.439 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -141.4 152.37 63.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.667 0.746 . . . . 0.0 110.856 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.8 Cg_endo -69.75 161.02 47.55 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.352 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.716 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 11.3 p90 -74.52 -35.43 63.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.611 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 18.2 mttm -70.19 -24.17 63.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.479 ' HA ' HD13 ' A' ' 27' ' ' LEU . 3.3 tm-20 -32.12 134.64 0.26 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.71 0.767 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 126' ' ' GLU . 53.9 Cg_endo -69.74 149.08 66.51 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.729 2.286 . . . . 0.0 112.311 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 125' ' ' PRO . 50.7 tt0 -34.24 135.93 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -39.34 -49.85 2.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 75.7 mtt-85 -76.98 48.03 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 6.9 t -86.97 161.39 18.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 130' ' ' ILE . 3.9 mp -70.67 80.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.0 p -42.31 134.3 2.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -145.54 147.08 31.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 80.4 p -69.76 172.7 7.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 84.03 127.93 1.51 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -174.0 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.7 2.266 . . . . 0.0 112.341 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 38.6 m -94.48 41.98 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 138' ' ' GLY . 33.4 t 42.68 42.1 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 137' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 p -92.04 42.2 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.92 0.391 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -108.29 -51.01 2.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.79 78.23 0.58 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.524 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 m -65.97 97.94 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -170.13 173.49 5.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.88 69.54 0.37 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.429 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -116.32 86.1 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.9 135.76 36.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.089 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -173.37 147.08 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.75 129.13 27.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -109.97 92.4 4.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -41.68 146.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -108.79 177.98 4.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.569 ' O ' ' CG ' ' A' ' 15' ' ' TRP . 36.4 p-90 -173.36 105.52 0.13 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 12.2 t-105 -158.78 156.74 30.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -85.77 41.96 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.35 145.25 9.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 141.07 44.14 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 173.62 10.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -53.24 142.77 20.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.573 ' O ' HG22 ' A' ' 25' ' ' VAL . 4.1 m-20 -117.08 82.97 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.567 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 52.1 mt -49.76 -22.02 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 t -58.27 -34.23 70.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 22' ' ' ASP . 16.0 m -55.62 -27.3 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.15 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.576 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 31.4 m-70 -68.0 177.07 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 124' ' ' GLU . 80.0 mt -99.26 -50.97 3.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.576 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 1.2 p-90 -59.78 -25.63 65.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.473 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 15.7 t80 -67.79 114.05 6.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.725 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -118.42 37.7 3.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 37.47 -153.23 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 90.8 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.452 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 19.8 ttp -116.51 138.88 51.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.606 ' OE2' HG11 ' A' ' 56' ' ' VAL . 5.5 mm-40 -70.98 162.98 28.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.503 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 4.7 tmm_? -58.97 -53.87 53.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.503 ' N ' ' HD2' ' A' ' 35' ' ' ARG . . . -50.81 -48.93 59.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.92 -51.55 10.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.568 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -62.78 -36.78 84.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.312 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.674 ' HA ' HG21 ' A' ' 72' ' ' VAL . 23.2 mt-10 -69.6 -22.42 63.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.9 t -94.65 -28.52 15.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.452 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 35.0 mt -73.95 -53.3 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.539 ' HG ' HD23 ' A' ' 51' ' ' LEU . 31.4 mt -75.61 -11.08 59.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -47.13 -57.66 4.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -78.62 -33.24 47.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 27.1 mmt180 -43.41 165.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.2 m -90.04 136.81 32.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.1 p-10 -36.9 126.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.828 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.458 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 111.43 -19.69 23.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.511 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.466 ' O ' HD22 ' A' ' 42' ' ' LEU . 20.1 m -65.68 100.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 111.16 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.819 ' CD2' HD12 ' A' ' 118' ' ' LEU . 23.4 p90 -89.59 157.64 17.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.814 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -154.77 133.78 12.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.527 HG22 HG12 ' A' ' 64' ' ' ILE . 22.1 t -105.12 145.38 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.678 HH21 ' HD1' ' A' ' 74' ' ' HIS . 14.0 ptt85 -153.09 167.0 30.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.421 ' OE1' ' CE2' ' A' ' 62' ' ' PHE . 27.5 tp60 -96.75 157.03 16.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.5 ' O ' ' C ' ' A' ' 56' ' ' VAL . 2.9 mmt85 -75.99 68.08 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.606 HG11 ' OE2' ' A' ' 34' ' ' GLU . 2.7 m 30.03 48.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.954 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 6.4 mmtt -172.11 139.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.82 108.82 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 49.15 32.47 4.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.954 ' HB2' ' CB ' ' A' ' 57' ' ' LYS . . . -61.05 -63.15 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -170.7 105.03 0.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.7 ' HB3' HD12 ' A' ' 77' ' ' ILE . 83.5 m-85 -60.47 146.05 46.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.93 130.42 20.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.755 HG13 HD11 ' A' ' 77' ' ' ILE . 33.5 mt -97.78 122.01 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.458 ' O ' HD11 ' A' ' 42' ' ' LEU . 6.1 m -128.65 123.82 34.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.701 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -127.87 168.64 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -87.96 117.59 26.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.553 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 17.4 t80 -145.1 141.35 28.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.908 ' O ' HG22 ' A' ' 70' ' ' VAL . 3.4 t-20 50.87 33.33 8.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.908 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.35 24.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 3.0 pt-20 -141.42 136.44 31.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.674 HG21 ' HA ' ' A' ' 39' ' ' GLU . 85.2 t -81.03 99.92 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -82.96 157.25 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.678 ' HD1' HH21 ' A' ' 53' ' ' ARG . 64.7 m-70 -128.12 142.94 51.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.586 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.7 mt -132.47 124.79 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.49 ' O ' HG22 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -73.75 148.26 42.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.755 HD11 HG13 ' A' ' 64' ' ' ILE . 88.2 mt -116.07 109.06 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mtm -80.83 137.94 36.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.534 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.4 p -119.05 137.75 53.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.154 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.01 127.75 6.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 64.79 25.27 12.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.1 6.17 86.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.408 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 6.9 mt -99.31 161.36 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.534 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 76.0 m-85 -125.69 124.87 42.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.676 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 19.9 ptt85 -162.05 123.89 2.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 76' ' ' LYS . 43.0 pt -62.76 -21.0 26.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.0 t -136.79 152.6 50.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -81.54 45.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -112.82 -36.13 5.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.481 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 23.5 tptt -155.24 120.83 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.676 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -103.36 151.71 22.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.481 ' CZ ' ' HG2' ' A' ' 90' ' ' LYS . 11.5 m-85 -130.65 159.81 36.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.923 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -57.02 -41.3 78.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.38 176.02 32.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.444 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.477 HD11 HD13 ' A' ' 77' ' ' ILE . 1.4 mm? -53.91 -59.48 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.9 0.381 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 95' ' ' LEU . 4.8 m -32.63 -44.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -76.79 -59.62 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.861 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.4 tm? -42.02 -48.97 4.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.782 HG13 ' HG ' ' A' ' 118' ' ' LEU . 24.4 t -64.3 -45.24 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -50.11 -45.51 52.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.433 ' O ' ' HG3' ' A' ' 104' ' ' GLN . 32.3 t80 -64.19 -42.66 96.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.861 ' CE2' HD21 ' A' ' 98' ' ' LEU . 8.2 m-85 -70.3 -20.01 63.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.506 HE21 HG12 ' A' ' 99' ' ' VAL . 73.4 mt-30 -69.2 -16.01 63.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.948 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.44 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.4 pt20 -110.46 -23.34 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.44 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 11.1 m-80 -116.7 140.76 49.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.692 ' HA ' HG23 ' A' ' 117' ' ' THR . 2.8 m -68.26 145.43 54.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -68.69 -10.57 57.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.9 pttt -41.81 -36.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -49.02 -47.98 44.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.441 ' SG ' HD11 ' A' ' 86' ' ' ILE . 2.8 m -83.33 -40.74 19.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 114' ' ' LEU . 95.0 m-85 -134.75 85.48 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 113' ' ' SER . 1.9 tmtp? -37.8 -62.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.456 ' N ' ' HD3' ' A' ' 112' ' ' LYS . 4.5 m -42.37 -34.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 111' ' ' PHE . 6.9 tp -99.58 91.24 4.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.956 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.72 77.65 1.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.553 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 13.8 t -130.24 -177.8 4.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.692 HG23 ' HA ' ' A' ' 106' ' ' SER . 1.0 OUTLIER -150.16 152.06 34.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.819 HD12 ' CD2' ' A' ' 50' ' ' PHE . 2.1 mm? -67.74 88.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.458 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.4 mt-30 -71.6 -72.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.457 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -141.72 152.05 61.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.62 0.724 . . . . 0.0 110.864 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.4 Cg_endo -69.71 166.56 27.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.366 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.725 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 14.9 p90 -76.56 -37.71 56.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.614 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 8.6 mtmt -71.55 -18.75 62.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.445 ' HA ' HD13 ' A' ' 27' ' ' LEU . 2.3 tm-20 -34.78 133.78 0.42 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 126' ' ' GLU . 53.3 Cg_endo -69.73 171.46 14.39 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.313 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 125' ' ' PRO . 8.5 tt0 -34.7 136.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -39.71 101.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -166.28 117.8 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 56.4 p -103.72 94.0 5.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.638 ' H ' HD13 ' A' ' 130' ' ' ILE . 0.2 OUTLIER -83.68 20.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 t -149.65 164.39 35.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -97.74 133.35 42.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.0 t -63.59 162.83 12.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -74.77 143.61 31.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 140.74 43.39 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 55.0 m -120.81 165.11 15.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 89.7 p -136.08 128.2 29.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -135.51 116.25 13.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.4 p -128.09 145.33 51.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.7 72.3 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.477 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -128.1 91.38 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.897 0.379 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.7 p -135.37 157.83 45.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.3 -94.62 0.63 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -59.2 126.65 28.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.755 0.312 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.73 104.58 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.051 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -90.08 119.72 30.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -158.43 150.58 21.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -146.56 116.53 7.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -142.09 152.87 43.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -93.5 164.62 13.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 9.1 p-90 -109.71 37.35 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.503 ' O ' ' N ' ' A' ' 18' ' ' GLY . 7.7 t-105 -82.0 144.96 30.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 38.89 25.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 16' ' ' TRP . . . -50.89 167.37 0.5 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.504 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 156.03 64.45 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 179.81 3.43 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.728 2.285 . . . . 0.0 112.34 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' N ' ' CD ' ' A' ' 21' ' ' GLN . 19.3 mp0 -92.13 122.61 34.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.12 89.6 7.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.541 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 62.9 mt -97.96 -26.48 14.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 75.0 p -57.18 -33.81 67.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.9 m -58.33 -19.47 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 31.9 m-70 -77.72 163.95 25.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 124' ' ' GLU . 67.5 mt -90.14 -35.74 15.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.505 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.4 p-90 -80.36 15.29 1.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.437 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 18.8 t80 -107.66 94.55 5.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.943 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -97.85 35.13 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.23 -153.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.444 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 85.65 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 27.7 ttp -110.72 146.75 35.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -82.86 146.69 28.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -39.96 -55.98 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.27 -61.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.29 -50.24 6.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.448 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -61.0 -37.25 81.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.584 ' HA ' HG21 ' A' ' 72' ' ' VAL . 21.3 mt-10 -74.45 -23.11 58.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.3 t -91.95 -28.57 17.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.792 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.2 mt -74.62 -57.79 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.84 HD12 HG13 ' A' ' 72' ' ' VAL . 31.6 mt -65.69 -22.42 66.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -45.89 -45.51 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' ARG . 55.0 m-80 -88.21 -31.5 19.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.476 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 17.2 mmp_? -49.28 179.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.75 148.96 23.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 11.2 p-10 -50.14 102.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.471 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 132.79 -19.19 4.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.645 ' O ' HD22 ' A' ' 42' ' ' LEU . 42.0 m -64.38 102.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.334 . . . . 0.0 111.09 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.579 ' HB2' HG22 ' A' ' 66' ' ' ILE . 23.5 p90 -88.66 154.89 19.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.656 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -153.18 129.14 10.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.844 HG22 HG12 ' A' ' 64' ' ' ILE . 23.6 t -99.48 141.84 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -143.68 167.29 22.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.774 ' OE1' ' HB3' ' A' ' 60' ' ' ALA . 0.8 OUTLIER -108.51 148.09 30.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.807 ' HB2' ' HB1' ' A' ' 60' ' ' ALA . 24.8 mtm180 -82.55 36.13 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.0 m 38.17 51.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.92 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 20.2 mmtp -151.89 154.64 36.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -47.36 111.77 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 46.94 27.9 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.92 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . . . -43.91 126.23 4.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 62' ' ' PHE . 9.0 pt-20 -41.65 94.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.838 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.52 ' CB ' HD12 ' A' ' 77' ' ' ILE . 60.6 m-85 -36.2 154.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -136.41 130.17 32.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.844 HG12 HG22 ' A' ' 52' ' ' VAL . 44.5 mt -103.11 127.25 57.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.3 m -130.33 133.43 46.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.84 HD13 ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -137.67 168.82 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -89.86 115.42 27.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.568 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 11.8 t80 -144.45 142.51 30.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.896 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.8 t-20 50.88 33.2 8.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.896 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.16 24.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 68' ' ' TYR . 3.9 pt-20 -141.54 141.02 33.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.84 HG13 HD12 ' A' ' 42' ' ' LEU . 63.4 t -84.24 98.81 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.424 ' HE3' HD13 ' A' ' 114' ' ' LEU . 20.1 mmtt -83.63 156.82 22.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -129.5 144.92 51.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.653 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.635 HG21 HD13 ' A' ' 86' ' ' ILE . 19.5 mt -130.39 127.66 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.161 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.38 138.36 36.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.693 HD11 HG13 ' A' ' 64' ' ' ILE . 75.1 mt -109.44 103.76 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.8 mtm -74.74 142.57 44.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.556 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.1 p -116.61 136.5 52.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.67 127.87 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 66.16 25.23 10.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.98 18.04 70.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.469 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 79' ' ' THR . 5.1 mt -113.09 170.89 7.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.775 0.321 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.556 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 78.1 m-85 -132.25 124.97 29.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.951 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.638 ' CZ ' ' HB2' ' A' ' 91' ' ' ALA . 11.0 ptt180 -161.63 124.4 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.635 HD13 HG21 ' A' ' 75' ' ' ILE . 5.6 pt -62.92 -21.56 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.414 ' N ' HG13 ' A' ' 86' ' ' ILE . 6.2 t -135.38 149.51 49.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -79.17 44.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -110.01 -34.99 6.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -160.21 121.53 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.638 ' HB2' ' CZ ' ' A' ' 85' ' ' ARG . . . -102.28 153.11 20.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.521 ' CE1' HD23 ' A' ' 98' ' ' LEU . 7.3 m-85 -130.63 161.86 30.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -55.25 -43.99 75.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.48 -177.11 29.33 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 96' ' ' THR . 0.7 OUTLIER -53.91 -59.81 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.355 . . . . 0.0 110.879 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 95' ' ' LEU . 4.3 m -32.55 -44.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -75.3 -59.59 2.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.684 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.5 tm? -44.39 -51.41 8.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.729 HG13 ' HG ' ' A' ' 118' ' ' LEU . 59.0 t -65.04 -48.02 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -55.78 -33.29 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.473 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 65.2 t80 -71.21 -52.23 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.684 ' CE2' HD21 ' A' ' 98' ' ' LEU . 11.2 m-85 -59.6 -25.07 64.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.944 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -55.99 -13.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.96 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -117.21 -21.42 8.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -119.89 125.69 49.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.472 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 8.6 t -57.5 144.85 35.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.462 HD12 HD13 ' A' ' 75' ' ' ILE . 1.1 mm? -67.15 -10.58 51.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -42.48 -35.38 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -41.4 -43.0 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.2 t -94.64 -30.08 14.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 114' ' ' LEU . 99.1 m-85 -134.68 80.38 1.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.49 -26.3 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 91.0 p -73.57 -38.06 65.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.831 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 111' ' ' PHE . 25.6 tp -95.51 97.87 10.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.48 80.09 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.568 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 14.6 t -141.4 156.88 45.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 17.5 p -126.14 150.28 48.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.729 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.8 mm? -57.43 91.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.471 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.6 mt-30 -71.5 -74.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -142.45 154.13 63.2 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.617 0.722 . . . . 0.0 110.88 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.2 Cg_endo -69.81 171.53 14.35 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.336 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.943 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 26.9 p90 -81.39 -39.95 24.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.615 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 8.7 mtmm -67.96 -21.68 65.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 123' ' ' LYS . 1.7 tt0 -32.37 126.38 0.37 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.631 0.729 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 149.87 67.41 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.69 2.26 . . . . 0.0 112.328 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -58.29 -11.1 2.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -38.35 -41.4 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 56.07 43.14 27.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 31.7 p -150.66 144.23 25.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 20.2 tt -53.99 145.59 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.1 m -156.76 160.87 39.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -118.35 41.42 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.3 t -42.0 130.44 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -107.68 -109.66 3.37 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.424 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 122.5 9.19 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 85.6 p -82.76 -48.99 10.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 79.8 p -56.58 -47.79 78.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -110.46 153.64 24.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -87.49 42.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.13 91.73 0.79 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.517 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -77.04 -46.8 22.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -66.34 115.32 6.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.38 -64.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.452 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 mttm -126.95 102.3 6.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.35 28.74 4.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -148.8 138.79 22.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.81 157.19 46.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -114.4 37.86 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -111.4 144.92 39.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -161.95 172.79 15.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 39.8 p90 -98.56 41.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 -116.34 140.09 49.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 18' ' ' GLY . 6.3 pt-20 -57.3 -38.76 74.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.448 ' N ' ' HG3' ' A' ' 17' ' ' GLU . . . 140.73 156.02 6.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.524 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 143.59 51.31 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.307 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 128.49 16.07 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.262 . . . . 0.0 112.348 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -134.42 110.62 9.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.01 95.72 5.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.565 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 71.9 mt -98.35 -23.4 15.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.6 t -56.74 -36.89 70.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.8 m -53.96 -24.32 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.645 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 22.4 m-70 -70.12 158.45 35.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.825 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.514 HD13 ' HA ' ' A' ' 124' ' ' GLU . 69.0 mt -87.25 -33.08 19.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.645 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.1 p-90 -82.98 18.31 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -112.23 97.23 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.575 ' HB2' ' CE1' ' A' ' 122' ' ' PHE . . . -99.9 35.51 2.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.109 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 34.65 -148.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.4 ' HD2' ' HA3' ' A' ' 31' ' ' GLY . 53.8 Cg_endo -69.79 87.76 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.499 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 26.0 ttp -118.0 137.57 52.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.431 ' HG2' HG21 ' A' ' 56' ' ' VAL . 29.9 mt-10 -75.01 162.86 28.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 15.2 ttp-105 -55.2 -52.93 61.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.66 -57.38 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -45.5 -53.25 8.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.53 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -60.07 -36.13 76.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.855 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 25.8 mt-10 -72.38 -27.32 62.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.4 t -93.16 -22.97 18.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.499 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 26.0 mt -78.08 -55.76 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.65 ' CG ' HD23 ' A' ' 51' ' ' LEU . 28.4 mt -76.38 -18.05 59.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.855 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -46.57 -44.45 18.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -88.64 -31.49 18.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.417 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 14.6 mmp_? -48.79 171.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -90.08 137.29 32.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.82 122.08 1.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.45 ' CA ' ' HG3' ' A' ' 119' ' ' GLN . . . 116.71 -20.13 12.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.2 m -65.52 105.81 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 111.162 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.61 ' CD2' HD12 ' A' ' 118' ' ' LEU . 25.5 p90 -94.04 150.94 19.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.753 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -148.81 128.28 13.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.731 HG22 HG12 ' A' ' 64' ' ' ILE . 4.0 t -96.83 138.71 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.502 ' HD3' HD11 ' A' ' 51' ' ' LEU . 21.9 ptt85 -143.36 156.41 44.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -109.87 119.98 41.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.774 ' HB2' ' HB3' ' A' ' 60' ' ' ALA . 19.1 mtp85 -36.55 156.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.431 HG21 ' HG2' ' A' ' 34' ' ' GLU . 12.4 t -75.09 50.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.583 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 12.1 mtpp -149.0 157.37 43.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 59' ' ' ALA . 9.1 t70 -36.56 102.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 32.95 38.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.774 ' HB3' ' HB2' ' A' ' 55' ' ' ARG . . . -54.85 147.01 15.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 60' ' ' ALA . 53.6 mt-10 -32.65 123.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.547 ' HB3' HD12 ' A' ' 77' ' ' ILE . 60.2 m-85 -64.04 174.4 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.69 136.47 11.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.088 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.731 HG12 HG22 ' A' ' 52' ' ' VAL . 8.7 mt -106.3 122.28 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 18.9 t -121.73 131.23 53.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.596 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -138.38 162.98 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -85.81 114.56 22.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.557 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 16.7 t80 -144.22 145.9 32.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.89 ' O ' HG22 ' A' ' 70' ' ' VAL . 10.4 t-20 51.35 32.7 8.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.89 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 65.34 25.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.3 pt-20 -143.8 139.1 29.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.562 HG11 ' HA ' ' A' ' 39' ' ' GLU . 99.6 t -78.66 96.63 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 65' ' ' SER . 22.2 mmtt -83.24 153.65 24.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -124.72 147.97 48.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.626 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 64' ' ' ILE . 33.2 mm -119.38 146.24 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.118 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.68 114.8 26.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.595 HD11 HG13 ' A' ' 64' ' ' ILE . 83.0 mt -93.54 126.67 45.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.1 mtm -107.4 159.0 16.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.3 p -134.82 139.75 45.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.83 124.95 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 68.31 25.0 7.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.19 20.88 63.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.519 ' O ' HG22 ' A' ' 79' ' ' THR . 12.5 mt -113.61 167.77 10.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.416 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 54.3 m-85 -128.75 124.38 35.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.432 ' NE ' ' O ' ' A' ' 87' ' ' THR . 0.0 OUTLIER -161.9 131.19 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.571 HG12 ' CE2' ' A' ' 102' ' ' TYR . 3.1 pt -71.33 -11.68 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.432 ' O ' ' NE ' ' A' ' 85' ' ' ARG . 6.3 t -148.33 166.13 28.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.4 37.34 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 89' ' ' LYS . 1.5 mmmp? -98.91 -39.2 8.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.601 ' HE3' ' CE2' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -163.63 121.15 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -96.4 159.88 14.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.604 ' CD1' HD23 ' A' ' 98' ' ' LEU . 7.6 m-85 -137.34 158.35 44.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 56.1 mmt-85 -50.3 -48.64 55.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.96 179.22 30.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.3 mm? -48.96 -63.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 95' ' ' LEU . 20.8 m -32.63 -48.54 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -71.78 -58.33 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.604 HD23 ' CD1' ' A' ' 92' ' ' PHE . 2.0 tm? -43.73 -52.53 6.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.892 HG13 ' HG ' ' A' ' 118' ' ' LEU . 61.2 t -60.4 -45.4 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -48.36 -38.44 19.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.563 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 38.6 t80 -67.89 -56.8 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.571 ' CE2' HG12 ' A' ' 86' ' ' ILE . 13.6 m-85 -58.81 -18.41 31.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.615 ' OE1' HG12 ' A' ' 99' ' ' VAL . 31.9 mt-30 -70.51 -13.67 62.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.489 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 1.3 pt20 -115.55 -22.03 9.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.523 ' O ' HG22 ' A' ' 117' ' ' THR . 8.3 m-80 -121.45 145.72 47.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.512 ' HA ' HG23 ' A' ' 117' ' ' THR . 23.3 t -67.19 143.46 56.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.2 mp -74.19 -7.37 52.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 33.1 pttt -41.68 -36.0 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 109' ' ' ASP . 1.2 t0 -41.6 -43.85 2.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 35.2 t -90.95 -33.41 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 114' ' ' LEU . 94.5 m-85 -133.28 80.6 1.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -39.33 -44.2 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 60.3 p -60.66 -37.37 81.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 111' ' ' PHE . 21.8 tp -99.52 95.09 6.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.27 66.93 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.557 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 13.3 t -118.79 -178.83 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 105' ' ' ASN . 9.4 p -147.47 166.99 25.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.892 ' HG ' HG13 ' A' ' 99' ' ' VAL . 1.7 mm? -77.48 94.87 4.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.45 ' HG3' ' CA ' ' A' ' 48' ' ' GLY . 6.0 mt-30 -75.71 -71.58 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -143.35 153.35 59.16 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 54.2 Cg_endo -69.76 163.31 38.74 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 2.279 . . . . 0.0 112.363 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.606 ' CE1' ' HG3' ' A' ' 123' ' ' LYS . 8.7 p90 -78.59 -41.14 32.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.606 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 21.8 mttm -62.39 -26.28 68.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.514 ' HA ' HD13 ' A' ' 27' ' ' LEU . 3.4 tt0 -31.26 128.39 0.29 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 110.958 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 151.92 69.49 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.691 2.261 . . . . 0.0 112.314 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 127' ' ' LYS . 9.3 tp10 -89.27 156.68 18.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.46 ' N ' ' HD3' ' A' ' 127' ' ' LYS . 2.7 mppt? -98.54 84.21 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 20.6 mmt85 -64.2 104.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 37.7 p -130.99 158.58 39.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.413 HD12 ' C ' ' A' ' 130' ' ' ILE . 2.7 pp -87.3 174.1 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.158 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.1 t -83.38 91.87 7.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -84.72 163.35 19.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 41.5 t -104.77 -50.57 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 55.36 73.12 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 148.68 65.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.307 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.0 m -87.04 121.22 29.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.9 t -169.35 165.66 10.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.512 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 1' ' ' GLY . 16.8 m -35.71 117.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 m -78.52 100.3 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.15 107.61 3.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.1 p -60.51 167.87 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.883 0.373 . . . . 0.0 110.849 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 p -103.36 177.74 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.41 -39.62 2.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -100.99 -45.71 5.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.44 29.05 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.067 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.27 157.87 36.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.01 178.29 7.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.056 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -44.84 112.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 14' ' ' ASN . 31.9 mt-30 -92.03 93.46 8.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 13' ' ' GLN . 82.0 m-20 36.37 43.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.582 ' O ' ' CG ' ' A' ' 15' ' ' TRP . 5.4 t-105 -96.28 1.22 51.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.435 ' O ' ' C ' ' A' ' 17' ' ' GLU . 8.9 t-105 -91.14 151.9 20.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 16' ' ' TRP . 57.3 mm-40 -35.85 -40.59 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 178.6 149.15 7.97 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 158.68 56.18 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.647 2.231 . . . . 0.0 112.39 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.4 Cg_endo -69.74 -176.28 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' A' ' 20' ' ' PRO . 4.2 tt0 31.57 54.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -56.04 103.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.591 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 96.3 mt -97.76 -19.19 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.2 m -60.29 -37.66 81.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.4 m -53.5 -20.22 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.609 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 36.9 m-70 -78.8 157.08 28.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 124' ' ' GLU . 62.8 mt -83.55 -33.58 25.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.609 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 7.3 p-90 -82.99 18.95 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.591 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 8.4 t80 -115.06 96.03 5.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB2' ' CE1' ' A' ' 122' ' ' PHE . . . -97.0 37.18 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 34.4 -147.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.481 ' HB2' HG22 ' A' ' 56' ' ' VAL . 54.2 Cg_endo -69.73 94.8 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.366 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.504 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 34.1 ttp -126.59 137.13 53.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -78.27 153.17 32.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.496 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 35.4 ttp180 -43.17 -59.16 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . -37.33 -63.47 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.97 -54.48 3.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.465 ' HB1' HD21 ' A' ' 51' ' ' LEU . . . -58.2 -38.27 76.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.735 0.302 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.638 ' HA ' HG21 ' A' ' 72' ' ' VAL . 26.2 mt-10 -70.49 -27.85 64.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 t -91.04 -23.94 20.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.504 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 19.2 mt -77.16 -58.44 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.104 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.646 ' CG ' HD23 ' A' ' 51' ' ' LEU . 30.7 mt -68.93 -19.49 64.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.606 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -46.33 -48.28 18.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -86.02 -32.31 21.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.465 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 20.9 mmt180 -47.23 171.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -93.71 135.78 34.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' SER . 3.3 p-10 -37.02 124.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.452 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 113.6 -21.51 16.55 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.445 ' O ' HD22 ' A' ' 42' ' ' LEU . 8.0 m -64.92 106.92 1.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.125 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.865 ' CD2' HD12 ' A' ' 118' ' ' LEU . 21.7 p90 -95.24 156.01 16.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.649 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -152.83 130.71 11.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.761 HG22 HG12 ' A' ' 64' ' ' ILE . 19.6 t -100.65 129.95 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 6.9 ptt-85 -126.14 149.26 49.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.496 ' O ' ' C ' ' A' ' 55' ' ' ARG . 12.0 tt0 -118.94 92.53 3.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.843 ' HB2' ' HB1' ' A' ' 60' ' ' ALA . 20.1 mtp180 -29.96 134.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.481 HG22 ' HB2' ' A' ' 32' ' ' PRO . 83.0 t -51.54 84.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.9 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -164.18 171.4 15.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.74 -72.03 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.488 ' O ' ' C ' ' A' ' 60' ' ' ALA . . . -116.38 28.52 8.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.9 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . . . -30.94 133.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 62' ' ' PHE . 49.1 mt-10 -59.51 95.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.546 ' HB3' HD12 ' A' ' 77' ' ' ILE . 56.0 m-85 -41.81 164.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.414 ' O ' ' NH1' ' A' ' 53' ' ' ARG . . . -156.86 142.87 17.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.761 HG12 HG22 ' A' ' 52' ' ' VAL . 10.4 mt -109.97 111.22 35.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 4.3 t -109.33 131.25 55.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.655 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -138.1 162.7 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.444 ' HE3' ' C ' ' A' ' 70' ' ' VAL . 20.3 tptt -84.44 113.62 21.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.558 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 18.3 t80 -144.43 140.93 29.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.911 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.5 t30 51.87 31.15 7.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.911 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.44 25.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.0 pt-20 -143.11 135.68 27.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.638 HG21 ' HA ' ' A' ' 39' ' ' GLU . 68.0 t -78.26 98.62 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -83.43 156.88 22.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.496 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 49.7 m-70 -119.25 146.95 44.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.59 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.657 ' CG2' HD13 ' A' ' 86' ' ' ILE . 4.1 mm -126.9 97.17 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -56.08 126.18 24.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.546 HD12 ' HB3' ' A' ' 62' ' ' PHE . 95.3 mt -103.23 116.2 46.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 mtm -94.18 142.36 27.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.9 p -120.25 133.98 55.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.16 118.2 9.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 68.46 25.01 6.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.22 -13.93 65.86 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.469 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 7.1 mt -79.16 153.52 30.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -114.49 125.96 54.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.678 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 25.3 ptt85 -162.15 135.94 6.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.657 HD13 ' CG2' ' A' ' 75' ' ' ILE . 5.6 pt -82.25 -14.41 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.8 t -140.48 147.67 39.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -77.66 47.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -112.65 -43.3 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.578 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.4 tmtt? -154.5 121.11 5.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.678 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -99.78 149.22 23.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.038 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.578 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 8.9 m-85 -124.48 166.76 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -59.8 -46.84 87.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.7 179.9 28.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.453 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.3 mm? -52.68 -62.36 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.4 m -32.41 -44.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -75.76 -58.37 3.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.529 HD22 ' O ' ' A' ' 98' ' ' LEU . 1.6 tm? -43.82 -48.25 8.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.919 HG13 ' HG ' ' A' ' 118' ' ' LEU . 57.4 t -64.76 -45.14 96.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -49.73 -44.65 48.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.48 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 43.3 t80 -62.0 -49.4 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.702 ' HB3' HD21 ' A' ' 107' ' ' LEU . 11.3 m-85 -65.57 -23.08 66.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.487 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 79.0 mt-30 -68.61 -11.4 60.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.472 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.1 pt20 -117.8 -20.18 8.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.559 ' O ' HG22 ' A' ' 117' ' ' THR . 12.7 m-80 -123.73 146.02 48.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.535 ' HA ' HG23 ' A' ' 117' ' ' THR . 9.8 t -61.68 147.24 46.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.702 HD21 ' HB3' ' A' ' 102' ' ' TYR . 1.2 mm? -77.45 -11.98 59.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 15.9 pttp -41.93 -34.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 82.3 m-20 -37.98 -38.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.1 t -101.66 -32.19 10.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 114' ' ' LEU . 92.1 m-85 -131.06 80.73 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.9 OUTLIER -41.53 -33.08 0.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.446 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 36.1 t -69.83 -38.36 76.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 111' ' ' PHE . 30.9 tp -96.82 96.39 8.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.944 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.11 71.91 1.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.558 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 10.6 t -125.99 -179.36 4.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.18 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 105' ' ' ASN . 8.0 p -148.44 151.81 35.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.919 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.5 mm? -61.96 96.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.452 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.2 mt-30 -75.97 -72.87 0.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -144.08 153.47 56.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.656 0.741 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.6 Cg_endo -69.77 162.7 41.08 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.241 . . . . 0.0 112.313 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.679 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 8.3 p90 -75.68 -35.94 60.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.607 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 16.3 mtmt -70.35 -23.06 62.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.556 ' HA ' HD13 ' A' ' 27' ' ' LEU . 2.3 tm-20 -32.77 133.43 0.3 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.674 0.75 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 126' ' ' GLU . 53.5 Cg_endo -69.77 -174.76 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.26 . . . . 0.0 112.335 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 125' ' ' PRO . 30.7 tt0 -34.73 136.65 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.74 147.26 23.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -174.92 157.16 2.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 32.1 p -40.32 104.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 5.7 tp -138.57 143.57 32.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 88.9 p -147.9 113.76 5.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.8 ppt_? -107.47 166.05 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.3 m -147.06 172.04 14.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 75.83 90.03 0.23 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.53 18.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.262 . . . . 0.0 112.354 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.0 m -45.8 164.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.6 t -165.87 133.03 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -110.23 174.95 5.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -154.19 174.24 15.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.97 -150.34 18.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m 59.39 44.7 14.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.369 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -135.68 130.05 33.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.808 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.47 -143.01 3.83 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.25 162.53 25.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.25 128.33 56.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -123.83 142.54 51.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -127.33 170.98 11.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -142.38 113.37 7.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.43 ' NE2' ' H ' ' A' ' 14' ' ' ASN . 5.5 tm0? -75.96 165.46 24.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.43 ' H ' ' NE2' ' A' ' 13' ' ' GLN . 8.4 m120 -122.24 104.48 9.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 41.8 p90 -114.04 45.73 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.446 ' CE2' ' OE1' ' A' ' 17' ' ' GLU . 36.2 t-105 -94.63 153.17 17.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' HG2' ' N ' ' A' ' 18' ' ' GLY . 24.7 pm0 -54.14 -30.49 49.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.455 ' N ' ' HG2' ' A' ' 17' ' ' GLU . . . 142.72 158.4 7.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 159.39 53.53 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.621 2.214 . . . . 0.0 112.372 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -168.7 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -50.88 178.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -93.96 78.03 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.514 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 38.0 mt -98.68 -24.08 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.418 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 3.0 m -57.96 -32.55 67.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.2 m -53.87 -30.39 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.514 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 27.7 m-70 -65.85 175.08 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.5 mt -96.53 -52.76 3.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.46 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 2.1 p-90 -58.99 -21.89 59.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.461 ' CE1' ' HB2' ' A' ' 23' ' ' LEU . 19.1 t80 -72.08 111.49 7.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.884 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -116.48 35.63 4.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 37.69 -155.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 99.64 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.719 2.279 . . . . 0.0 112.32 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.1 ttp -127.97 139.7 52.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -70.71 160.97 31.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.588 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 29.9 ttp180 -53.6 -50.41 65.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.63 -64.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.27 -51.3 2.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.506 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -63.37 -35.66 81.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.74 0.305 . . . . 0.0 111.1 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.776 ' HA ' HG21 ' A' ' 72' ' ' VAL . 28.2 mt-10 -77.09 -22.93 52.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.4 t -95.15 -24.39 16.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 45' ' ' ARG . 21.9 mt -76.08 -57.19 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.601 HD13 ' HA ' ' A' ' 66' ' ' ILE . 15.1 mt -75.05 -10.92 59.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.629 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -49.26 -50.1 40.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -85.54 -31.66 22.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.637 ' HE ' HG21 ' A' ' 49' ' ' THR . 29.4 mmm180 -47.93 174.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.98 138.4 31.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -40.85 127.48 2.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.476 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 113.0 -20.52 19.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.532 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.637 HG21 ' HE ' ' A' ' 45' ' ' ARG . 26.2 m -65.15 106.49 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.363 . . . . 0.0 111.149 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.655 ' HB2' HG22 ' A' ' 66' ' ' ILE . 27.5 p90 -95.1 153.81 17.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.601 HD23 HD11 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -151.55 127.07 10.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.432 HG22 HG12 ' A' ' 64' ' ' ILE . 16.0 t -96.4 140.89 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 2.1 ptt-85 -145.18 167.37 22.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.467 ' NE2' ' CZ ' ' A' ' 62' ' ' PHE . 4.7 tt0 -103.04 174.83 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 56' ' ' VAL . 10.8 tpt180 -97.31 66.31 2.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.636 HG12 ' O ' ' A' ' 56' ' ' VAL . 30.3 t 35.52 40.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -159.08 151.88 21.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 59' ' ' ALA . 3.7 m-20 -60.92 135.11 57.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 33.99 44.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.064 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.45 -175.05 5.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -60.69 89.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.521 ' HB3' HD12 ' A' ' 77' ' ' ILE . 75.6 m-85 -49.56 159.97 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.447 ' O ' ' NH1' ' A' ' 53' ' ' ARG . . . -151.34 140.4 21.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.848 HG13 HD11 ' A' ' 77' ' ' ILE . 53.9 mt -108.95 127.4 65.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 4.8 t -128.39 129.5 46.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.666 HD13 ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -136.41 169.42 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -92.0 116.23 28.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.555 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 15.1 t80 -144.69 143.11 30.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.879 ' O ' HG22 ' A' ' 70' ' ' VAL . 7.3 t30 51.09 33.6 9.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.879 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 65.28 25.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 68' ' ' TYR . 5.0 pt-20 -143.1 139.38 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.776 HG21 ' HA ' ' A' ' 39' ' ' GLU . 64.6 t -79.41 98.07 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 65' ' ' SER . 29.4 mmtt -82.96 157.63 22.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.588 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 6.1 m-70 -128.62 155.26 45.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.617 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.636 HG21 HD13 ' A' ' 86' ' ' ILE . 33.5 mt -138.4 126.83 30.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.138 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -76.21 137.82 40.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.848 HD11 HG13 ' A' ' 64' ' ' ILE . 95.7 mt -110.7 131.12 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.2 mtm -106.57 158.52 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.3 p -134.34 139.75 45.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.609 ' HB3' HH12 ' A' ' 85' ' ' ARG . . . -158.91 123.48 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 66.66 24.96 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.35 21.43 58.54 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.478 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.622 ' O ' HG22 ' A' ' 79' ' ' THR . 6.7 mt -113.43 172.82 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.595 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 38.6 m-85 -134.95 125.74 27.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.769 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 5.8 ptt-85 -161.83 128.84 3.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.636 HD13 HG21 ' A' ' 75' ' ' ILE . 3.7 pt -71.92 -20.12 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.41 ' N ' HG13 ' A' ' 86' ' ' ILE . 6.4 t -137.18 151.63 49.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.81 47.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -112.0 -37.04 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.498 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 22.6 tptt -161.3 130.19 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.952 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.769 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -111.43 158.56 18.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.081 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.532 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -138.53 158.64 43.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.458 ' CD ' ' H ' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -44.14 -58.3 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.422 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -143.99 -179.52 20.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.595 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.0 mm? -49.51 -59.5 3.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 95' ' ' LEU . 16.7 m -32.82 -47.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -72.2 -60.98 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.621 HD11 ' CE2' ' A' ' 102' ' ' TYR . 1.9 tm? -41.08 -49.49 3.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.841 HG13 ' HG ' ' A' ' 118' ' ' LEU . 60.3 t -64.74 -42.41 94.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -51.62 -35.53 42.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.53 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 30.9 t80 -73.87 -58.4 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.621 ' CE2' HD11 ' A' ' 98' ' ' LEU . 22.0 m-30 -55.31 -12.23 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.931 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.68 HE21 HG12 ' A' ' 99' ' ' VAL . 50.6 mt-30 -73.62 -22.6 59.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.944 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.609 ' HG2' ' ND2' ' A' ' 105' ' ' ASN . 8.3 pt20 -115.34 -9.31 12.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.609 ' ND2' ' HG2' ' A' ' 104' ' ' GLN . 0.1 OUTLIER -126.98 118.87 25.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.599 ' HA ' HG23 ' A' ' 117' ' ' THR . 46.6 t -46.89 149.4 0.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.479 HD12 HD13 ' A' ' 75' ' ' ILE . 1.5 mm? -76.62 -11.15 59.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -43.16 -26.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.78 -39.49 25.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 14.4 t -98.43 -33.02 11.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -133.39 85.99 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 113' ' ' SER . 4.1 pttp -45.81 -28.91 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.468 ' N ' ' HG3' ' A' ' 112' ' ' LYS . 51.6 p -72.78 -33.87 66.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 12.7 tp -99.32 92.95 5.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.58 77.51 2.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.555 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 15.0 t -130.76 -176.84 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.599 HG23 ' HA ' ' A' ' 106' ' ' SER . 1.9 p -153.15 149.32 27.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.841 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.6 mm? -63.42 91.07 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.476 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 6.9 mt-30 -74.07 -72.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.963 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -142.0 151.36 58.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.692 0.758 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 54.3 Cg_endo -69.74 163.5 38.02 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 2.247 . . . . 0.0 112.401 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.884 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 15.6 p90 -75.94 -34.74 59.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.608 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 21.6 mttt -71.57 -23.71 61.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.5 tm-20 -32.6 134.56 0.28 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.667 0.746 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 126' ' ' GLU . 53.7 Cg_endo -69.77 149.12 66.41 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.721 2.281 . . . . 0.0 112.344 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 125' ' ' PRO . 40.4 tt0 -34.35 142.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -56.09 -48.86 75.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -70.0 77.15 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 129' ' ' THR . 9.1 t -146.15 116.31 7.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 42.2 mt -68.66 85.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 60.7 p -147.61 176.95 9.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -116.16 100.65 8.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 88.0 p -132.71 134.03 44.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -153.93 130.31 2.89 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.433 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -24.57 29.44 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.753 2.302 . . . . 0.0 112.285 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 88.1 p -124.75 96.41 4.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 80.0 p -48.59 -45.03 37.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 m -76.4 153.1 35.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 110.822 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -163.14 130.91 3.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.14 140.23 16.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 m -156.11 128.01 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.921 0.391 . . . . 0.0 110.834 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -113.52 155.72 24.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.67 73.56 0.42 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -154.61 159.76 41.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.337 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.57 99.13 8.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -141.98 156.31 45.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.35 28.31 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -114.67 45.16 1.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -80.2 44.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -122.08 81.33 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 10.1 p-90 -106.7 37.77 2.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -127.85 140.62 51.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -41.77 -44.71 3.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -136.66 179.5 17.87 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 123.21 9.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -166.94 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.0 mp0 58.23 50.98 8.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.73 94.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.798 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.57 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 31.4 mt -98.36 -20.1 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.1 p -59.46 -35.9 74.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 m -56.5 -31.62 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.564 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 34.7 m-70 -66.92 160.09 26.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 124' ' ' GLU . 85.2 mt -87.86 -34.27 18.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.564 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 7.0 p-90 -81.57 19.06 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.57 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 20.3 t80 -113.46 93.22 4.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.554 ' HB2' ' CE1' ' A' ' 122' ' ' PHE . . . -91.09 25.4 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 40.64 -142.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.573 ' HB2' HG12 ' A' ' 56' ' ' VAL . 53.8 Cg_endo -69.72 88.28 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.711 2.274 . . . . 0.0 112.361 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.2 ttp -124.83 141.96 51.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -88.36 168.81 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.55 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 48.0 ttp180 -54.48 -54.25 43.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.66 -60.93 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.07 -52.34 6.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.522 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.496 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -61.87 -40.99 97.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.852 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 71.7 mt-10 -67.44 -27.06 66.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.4 t -93.03 -19.38 21.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.0 mt -84.67 -55.78 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.143 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.654 HD13 ' HA ' ' A' ' 66' ' ' ILE . 41.1 mt -75.0 -15.25 60.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.852 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -51.28 -45.24 62.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -89.38 -31.34 17.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.405 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 5.1 mmp_? -46.86 173.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.1 m -92.85 133.79 35.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.4 OUTLIER -36.56 118.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.447 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 119.73 -20.52 9.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.538 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 122' ' ' PHE . 5.6 m -64.9 101.62 0.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.761 0.315 . . . . 0.0 111.186 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.724 ' CD2' HD12 ' A' ' 118' ' ' LEU . 23.8 p90 -91.63 152.02 20.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.822 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -150.29 131.81 14.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.492 HG22 HG12 ' A' ' 64' ' ' ILE . 29.6 t -100.32 140.98 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.134 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 3.9 ptt-85 -147.16 167.88 23.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.424 ' HG3' ' HB3' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -119.78 172.03 7.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.568 ' HB2' ' HB1' ' A' ' 60' ' ' ALA . 14.4 mmt180 -80.63 43.07 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.573 HG12 ' HB2' ' A' ' 32' ' ' PRO . 11.1 m 37.24 54.97 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.176 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 58' ' ' ASP . 15.3 mttm -160.16 144.99 14.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 57' ' ' LYS . 5.3 m-20 -32.94 117.43 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 36.72 45.79 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HB1' ' HB2' ' A' ' 55' ' ' ARG . . . -68.17 168.09 12.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -60.09 110.47 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.452 ' HB3' HD12 ' A' ' 77' ' ' ILE . 65.1 m-85 -68.28 165.33 18.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.78 140.44 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.124 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.805 HG13 HD11 ' A' ' 77' ' ' ILE . 74.1 mt -103.75 115.76 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 2.5 t -120.29 129.34 53.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.654 ' HA ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -139.44 162.54 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -86.09 116.29 24.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 116' ' ' THR . 13.6 t80 -143.85 142.69 30.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.875 ' O ' HG22 ' A' ' 70' ' ' VAL . 20.2 t30 50.82 33.57 8.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 65.25 25.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.167 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 68' ' ' TYR . 3.8 pt-20 -141.85 138.44 32.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.604 HG21 ' HA ' ' A' ' 39' ' ' GLU . 66.5 t -79.63 98.97 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -82.98 156.96 23.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.55 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 7.7 m-70 -131.22 150.75 52.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.642 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.545 HG21 HD13 ' A' ' 86' ' ' ILE . 54.5 mt -133.86 127.51 52.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.155 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.59 135.08 38.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.805 HD11 HG13 ' A' ' 64' ' ' ILE . 88.4 mt -110.55 127.98 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.7 mtm -105.83 157.61 17.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.3 p -129.63 141.87 50.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.151 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.14 124.72 3.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 65.88 25.03 11.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.66 19.32 64.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.529 ' O ' HG22 ' A' ' 79' ' ' THR . 5.7 mt -111.48 168.58 9.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -129.66 122.89 29.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.684 ' CZ ' ' HB2' ' A' ' 91' ' ' ALA . 14.4 ptt180 -161.89 129.53 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.545 HD13 HG21 ' A' ' 75' ' ' ILE . 41.9 pt -68.88 -23.15 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.45 HG21 ' SG ' ' A' ' 110' ' ' CYS . 8.8 t -133.08 149.62 52.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -78.33 48.01 0.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -109.29 -45.04 3.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.581 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.8 tmtt? -154.93 116.89 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.684 ' HB2' ' CZ ' ' A' ' 85' ' ' ARG . . . -94.05 154.29 17.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.634 ' CD1' HD23 ' A' ' 98' ' ' LEU . 9.2 m-85 -129.88 158.83 38.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.448 ' NH1' ' HB3' ' A' ' 93' ' ' ARG . 4.7 mmm180 -52.23 -42.02 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.68 175.4 36.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.1 mm? -48.17 -59.14 3.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.92 0.391 . . . . 0.0 110.946 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 95' ' ' LEU . 10.2 m -32.66 -42.37 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -79.75 -58.3 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.634 HD23 ' CD1' ' A' ' 92' ' ' PHE . 2.1 tm? -43.03 -44.51 4.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.972 HG13 ' HG ' ' A' ' 118' ' ' LEU . 86.5 t -69.59 -43.98 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -53.3 -45.24 68.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.461 ' O ' ' HG3' ' A' ' 104' ' ' GLN . 55.1 t80 -61.9 -38.13 87.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.487 ' HB3' ' CD2' ' A' ' 118' ' ' LEU . 11.3 m-85 -77.08 -20.52 55.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.494 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 75.0 mt-30 -67.75 -20.72 65.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.514 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 4.8 pt20 -106.43 -24.09 12.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.514 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 26.0 m-80 -118.51 140.3 50.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.515 ' HA ' HG23 ' A' ' 117' ' ' THR . 32.7 t -67.4 148.02 52.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.545 HD12 HD13 ' A' ' 75' ' ' ILE . 2.1 mm? -72.16 -10.45 59.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.946 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 41.3 pttt -41.86 -44.1 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.458 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 27.3 t70 -44.93 -49.85 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.45 ' SG ' HG21 ' A' ' 87' ' ' THR . 9.6 m -82.95 -37.21 24.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -134.91 87.21 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -43.01 -46.32 5.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.2 t -56.9 -33.29 66.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.6 tp -102.59 92.59 4.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -102.49 73.81 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.571 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 10.5 t -138.55 179.84 6.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.515 HG23 ' HA ' ' A' ' 106' ' ' SER . 8.1 p -142.1 154.52 44.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.972 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.6 mm? -63.63 88.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.447 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.6 mt-30 -65.63 -73.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.465 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -144.05 154.74 58.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.688 0.756 . . . . 0.0 110.878 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.435 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.1 Cg_endo -69.84 163.55 37.91 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.665 2.243 . . . . 0.0 112.314 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.61 ' CZ ' ' HG3' ' A' ' 123' ' ' LYS . 12.8 p90 -77.87 -40.42 40.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.61 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 21.3 mttt -63.35 -25.58 68.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.496 ' HA ' HD13 ' A' ' 27' ' ' LEU . 3.3 tm-20 -32.71 133.15 0.3 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 152.11 69.26 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.335 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 127' ' ' LYS . 15.0 tt0 -41.68 164.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.687 ' O ' HG22 ' A' ' 129' ' ' THR . 16.9 tttt -31.7 -54.16 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.1 ptt85 -45.71 104.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 127' ' ' LYS . 10.5 t -165.03 161.72 19.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 9.9 pt -73.18 166.82 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 41.1 t -108.01 136.29 47.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -98.36 84.76 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.8 p -142.52 140.49 31.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 165.04 71.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 113.87 3.51 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 26.9 p -68.47 87.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 138' ' ' GLY . 3.9 t -105.05 162.65 13.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 137' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -133.98 157.6 45.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -171.46 125.07 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.62 172.49 45.01 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -119.72 162.4 19.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.3 m -109.13 150.02 28.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.86 122.76 0.66 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -135.49 112.06 9.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.01 102.94 14.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -126.95 144.04 51.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.47 158.16 16.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -120.89 125.07 46.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -134.06 132.49 40.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -114.66 138.22 50.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.6 p90 -79.85 44.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -109.68 150.22 28.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 18' ' ' GLY . 12.4 pt-20 -80.49 43.99 0.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -36.36 145.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.437 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 147.46 62.56 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.488 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.5 Cg_endo -69.76 -166.77 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.367 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.488 ' C ' ' O ' ' A' ' 20' ' ' PRO . 8.6 pm0 31.15 54.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.422 ' O ' HG22 ' A' ' 25' ' ' VAL . 10.1 t0 -50.04 116.3 1.77 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.453 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 87.6 mt -87.33 -21.13 25.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.0 p -59.77 -30.07 68.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 22' ' ' ASP . 14.2 m -57.23 -19.76 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.56 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 34.5 m-70 -80.21 167.54 20.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 124' ' ' GLU . 40.6 mt -93.2 -33.06 14.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.56 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.1 p-90 -83.11 17.23 2.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.453 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 12.1 t80 -109.19 96.88 6.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.834 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -99.26 30.58 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.112 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.9 -144.59 0.25 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 87.76 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.671 2.247 . . . . 0.0 112.345 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.768 ' HE3' ' CB ' ' A' ' 30' ' ' ALA . 14.7 ttm -115.86 143.74 44.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.424 ' N ' ' HG2' ' A' ' 33' ' ' MET . 36.1 mt-10 -89.77 159.08 17.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -47.62 -53.26 15.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.78 -56.58 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.78 -51.34 18.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.632 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -63.59 -37.5 87.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.753 0.311 . . . . 0.0 111.072 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.733 ' HA ' HG21 ' A' ' 72' ' ' VAL . 27.6 mt-10 -72.52 -27.1 62.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.6 m -92.01 -23.54 19.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.9 mt -79.06 -57.95 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.648 HD13 ' HA ' ' A' ' 66' ' ' ILE . 33.9 mt -72.6 -10.37 59.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -51.8 -54.76 25.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -81.43 -32.55 32.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -45.58 168.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.3 m -86.63 133.06 33.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' SER . 4.1 p-10 -37.71 121.85 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.44 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 117.51 -19.83 11.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.459 ' O ' HD22 ' A' ' 42' ' ' LEU . 27.9 m -65.22 100.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 111.12 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.667 ' CD2' HD12 ' A' ' 118' ' ' LEU . 25.1 p90 -86.83 152.03 22.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.828 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -149.29 130.23 14.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.543 HG22 HG12 ' A' ' 64' ' ' ILE . 17.0 t -98.23 131.87 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.46 ' HD3' HD11 ' A' ' 51' ' ' LEU . 29.9 ptt85 -135.68 162.62 32.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' O ' ' C ' ' A' ' 55' ' ' ARG . 24.7 tt0 -133.25 98.33 4.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.639 ' HB2' ' HB1' ' A' ' 60' ' ' ALA . 42.6 mtp180 -32.89 147.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 56' ' ' VAL . 15.7 m -73.78 81.5 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.535 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 34.9 mttp -162.38 165.92 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.01 101.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 60' ' ' ALA . . . 48.87 28.73 2.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.639 ' HB1' ' HB2' ' A' ' 55' ' ' ARG . . . -32.18 106.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 60' ' ' ALA . 22.3 pt-20 -33.61 117.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -51.67 165.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.34 143.66 20.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.724 HG13 HD11 ' A' ' 77' ' ' ILE . 17.0 mt -106.83 124.69 62.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.427 ' O ' HD11 ' A' ' 42' ' ' LEU . 8.0 m -126.64 128.81 47.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -135.68 167.93 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.098 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.46 ' CE ' ' HA ' ' A' ' 70' ' ' VAL . 24.9 tptt -89.57 116.35 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.597 ' CE1' ' HB ' ' A' ' 116' ' ' THR . 11.2 t80 -145.3 139.83 27.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.829 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.7 t30 51.54 32.73 9.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.829 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 64.3 25.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.1 pt-20 -140.14 129.17 23.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.733 HG21 ' HA ' ' A' ' 39' ' ' GLU . 57.8 t -74.19 99.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -82.68 157.04 23.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -133.41 138.79 46.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.592 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.507 HG21 HD12 ' A' ' 86' ' ' ILE . 56.4 mt -124.89 127.73 72.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 138.54 41.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.724 HD11 HG13 ' A' ' 64' ' ' ILE . 97.4 mt -110.99 105.9 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.7 mtm -78.29 137.77 38.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.2 p -117.47 139.54 50.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.09 128.66 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 64.49 25.04 13.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.55 16.17 71.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.536 ' O ' HG22 ' A' ' 79' ' ' THR . 4.2 mt -106.93 165.61 11.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.446 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 72.6 m-85 -127.67 121.63 30.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.518 ' CD ' ' HB2' ' A' ' 91' ' ' ALA . 19.2 ptt85 -161.78 131.82 4.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.507 HD12 HG21 ' A' ' 75' ' ' ILE . 18.2 pt -74.09 -16.99 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.425 ' O ' ' HD2' ' A' ' 85' ' ' ARG . 5.1 t -136.36 144.5 44.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -77.59 45.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -112.4 -38.13 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.614 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.1 tmtm? -156.17 114.09 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.518 ' HB2' ' CD ' ' A' ' 85' ' ' ARG . . . -95.77 154.16 17.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.66 ' CD1' HD23 ' A' ' 98' ' ' LEU . 10.6 m-85 -127.74 160.8 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -57.82 -40.29 79.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.0 173.73 34.61 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.1 mm? -48.91 -61.74 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 95' ' ' LEU . 11.5 m -33.22 -45.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 100' ' ' GLU . 46.3 mm-40 -74.01 -56.64 4.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.66 HD23 ' CD1' ' A' ' 92' ' ' PHE . 2.3 tm? -45.04 -49.83 11.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.909 HG13 ' HG ' ' A' ' 118' ' ' LEU . 46.1 t -62.48 -44.2 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 97' ' ' GLU . 4.7 mt-10 -48.06 -47.08 34.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.474 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 32.1 t80 -61.86 -48.74 79.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.607 ' HE2' HD11 ' A' ' 98' ' ' LEU . 20.0 m-85 -68.18 -20.09 64.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.496 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 56.4 mt-30 -70.21 -11.42 60.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.958 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.472 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.1 pt20 -115.75 -21.41 9.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.472 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 13.2 m-80 -119.27 149.11 42.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.467 ' HB3' ' CE ' ' A' ' 108' ' ' LYS . 31.1 t -75.31 138.6 41.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.431 HD12 HD13 ' A' ' 75' ' ' ILE . 2.2 mm? -62.86 -13.34 32.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.467 ' CE ' ' HB3' ' A' ' 106' ' ' SER . 6.9 ptpt -41.8 -36.77 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -50.42 -45.73 55.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.426 ' SG ' HD11 ' A' ' 86' ' ' ILE . 3.8 m -85.15 -39.11 18.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 114' ' ' LEU . 92.6 m-85 -135.05 87.13 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 111' ' ' PHE . 1.4 tmmt? -33.96 -64.31 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.452 ' N ' ' HD2' ' A' ' 112' ' ' LYS . 8.9 m -40.3 -40.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 111' ' ' PHE . 3.8 tp -92.17 97.11 10.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 115' ' ' ASP . 29.0 t0 -111.27 65.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.597 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 14.6 t -129.01 -175.65 3.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 105' ' ' ASN . 39.2 p -144.34 159.28 42.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.909 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.4 mm? -69.78 89.23 0.56 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.44 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 11.3 mt-30 -67.21 -74.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.484 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 1.1 m-85 -142.36 155.58 64.36 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.649 0.738 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.6 Cg_endo -69.78 169.69 18.36 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.661 2.241 . . . . 0.0 112.309 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.834 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 17.2 p90 -81.01 -37.99 28.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.609 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 28.6 mttt -67.59 -24.22 65.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.2 tt0 -32.99 128.06 0.38 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.613 0.721 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 149.59 67.01 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 127' ' ' LYS . 19.7 tp10 -54.07 -13.48 0.82 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 126' ' ' GLU . 10.5 tttt -34.81 104.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.5 105.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 80.6 p -124.34 98.49 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 131' ' ' SER . 14.7 tt -56.56 -40.96 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.425 ' N ' HG23 ' A' ' 130' ' ' ILE . 30.5 p -128.32 92.07 3.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.6 11.35 3.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 70.0 m -76.14 124.16 26.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 146.94 176.0 20.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 167.75 23.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.9 t -132.88 164.32 27.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 49.4 p -83.21 129.13 34.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.512 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -165.13 139.81 5.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 p -139.27 176.16 8.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.05 110.89 0.84 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -103.95 155.73 18.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 0.0 110.863 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.4 p -88.8 -32.7 17.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.53 75.54 0.1 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -172.68 146.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.67 168.05 28.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.092 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.18 150.92 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.52 122.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.087 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -100.78 105.2 16.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.433 ' O ' ' CD ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -125.54 62.99 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -45.14 146.0 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.544 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 11.3 p-90 -123.52 37.28 4.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -121.99 142.44 50.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -47.8 -43.87 28.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -159.17 -162.66 12.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 155.55 65.55 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 174.37 9.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.662 2.242 . . . . 0.0 112.35 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -94.06 -178.32 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -111.93 80.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.579 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 51.4 mt -98.57 -22.4 15.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.437 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 62.3 p -57.21 -36.4 70.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.8 m -55.91 -21.23 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.088 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.609 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 26.1 m-70 -72.85 162.69 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.495 HD13 ' HA ' ' A' ' 124' ' ' GLU . 47.9 mt -89.64 -34.76 16.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.609 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.3 p-90 -80.64 15.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.437 ' CD2' ' HA ' ' A' ' 24' ' ' SER . 6.8 t80 -106.09 95.75 5.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.749 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -99.77 34.77 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.07 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 34.28 -147.64 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 134.48 28.15 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.25 . . . . 0.0 112.34 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.426 ' CE ' ' CD1' ' A' ' 41' ' ' ILE . 14.7 ttp -172.61 148.85 2.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.824 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.436 ' HA ' ' NH2' ' A' ' 55' ' ' ARG . 4.6 mp0 -84.61 171.31 12.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 31.8 ttp180 -60.75 -50.19 74.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.54 -57.68 3.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.1 -62.89 3.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.434 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.523 ' HB2' ' HD3' ' A' ' 53' ' ' ARG . . . -50.52 -39.65 49.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 111.121 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.6 ' HA ' HG21 ' A' ' 72' ' ' VAL . 25.7 mt-10 -67.65 -23.16 65.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -95.74 -20.27 19.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.426 ' CD1' ' CE ' ' A' ' 33' ' ' MET . 84.2 mt -78.53 -51.5 17.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.764 HD12 HG13 ' A' ' 72' ' ' VAL . 10.1 mt -79.58 -10.47 59.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -49.35 -41.69 39.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -93.71 -27.22 16.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.482 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 5.5 mmp_? -48.41 176.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.23 142.47 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -45.82 101.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.467 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 132.92 -18.19 4.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.483 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.762 ' O ' HD22 ' A' ' 42' ' ' LEU . 31.5 m -64.76 100.84 0.42 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.8 0.333 . . . . 0.0 111.117 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.689 ' CD2' HD12 ' A' ' 118' ' ' LEU . 21.0 p90 -88.0 156.31 19.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.716 HD23 ' CG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -154.96 128.02 8.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.926 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.75 HG22 HG12 ' A' ' 64' ' ' ILE . 15.0 t -94.97 130.38 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.523 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 27.8 ptt85 -135.91 125.82 25.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.498 ' NE2' ' N ' ' A' ' 60' ' ' ALA . 4.9 tp60 -84.11 132.13 34.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.518 ' HB3' ' CB ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -45.95 172.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.44 ' C ' ' HG2' ' A' ' 57' ' ' LYS . 2.2 t -75.41 51.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 1.006 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 23.9 mmtp -147.9 159.07 44.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -44.97 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.06 49.03 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.056 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 1.006 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . . . -58.38 -177.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 62' ' ' PHE . 29.0 mt-10 -81.85 92.01 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.629 ' HB3' HD12 ' A' ' 77' ' ' ILE . 58.2 m-85 -37.87 158.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 75' ' ' ILE . . . -147.07 136.12 22.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.75 HG12 HG22 ' A' ' 52' ' ' VAL . 13.9 mt -105.94 110.38 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 51' ' ' LEU . 6.9 m -111.77 132.91 54.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.677 HD13 ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -135.74 167.13 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.151 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.508 ' HZ2' ' HG3' ' A' ' 67' ' ' LYS . 3.9 tptp -89.34 108.13 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.447 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 17.1 t80 -146.23 155.07 42.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.702 ' O ' HG22 ' A' ' 70' ' ' VAL . 9.8 t-20 49.67 36.76 11.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.85 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.7 OUTLIER 58.35 24.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 5.1 pt-20 -147.86 151.3 35.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.764 HG13 HD12 ' A' ' 42' ' ' LEU . 46.7 t -86.55 93.3 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 65' ' ' SER . 10.9 mmtt -82.38 152.72 26.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.576 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 7.9 m-70 -121.15 152.6 38.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.621 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 3.1 mm -124.44 119.96 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.108 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -73.66 121.02 20.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.651 HD11 HG13 ' A' ' 64' ' ' ILE . 66.7 mt -97.28 127.42 49.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.4 mtm -102.93 155.26 18.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.84 139.29 51.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.157 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.16 126.82 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 66.39 25.08 10.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.26 15.61 76.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.4 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 7.1 mt -110.59 165.64 11.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 110.94 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -125.48 127.73 46.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.503 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 10.4 ptt180 -162.29 129.4 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.548 HG12 ' CZ ' ' A' ' 102' ' ' TYR . 5.4 pt -68.9 -19.05 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.5 t -142.94 152.26 41.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -76.8 47.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -111.24 -34.69 6.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 16.8 tptt -163.56 124.01 2.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.503 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -103.85 151.6 22.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' A' ' 101' ' ' PHE . 3.5 m-85 -130.06 167.37 18.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 55.2 mmt-85 -57.56 -43.35 84.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.01 179.89 34.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.466 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.5 mm? -45.69 -65.16 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.869 0.366 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 95' ' ' LEU . 4.5 m -32.23 -55.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.432 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 8.0 mm-40 -62.62 -54.47 39.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.947 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.3 tm? -49.73 -60.9 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.901 HG12 HE21 ' A' ' 103' ' ' GLN . 45.2 t -54.92 -46.55 76.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -47.37 -37.66 11.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.479 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 60.2 t80 -71.68 -55.57 7.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.947 ' CE2' HD21 ' A' ' 98' ' ' LEU . 21.2 m-85 -56.46 -16.63 6.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.97 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.901 HE21 HG12 ' A' ' 99' ' ' VAL . 50.8 mt-30 -72.35 -19.56 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.486 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 3.6 pt20 -110.63 -15.47 13.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.724 ' O ' HG22 ' A' ' 117' ' ' THR . 14.0 m-80 -122.48 148.85 44.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.645 ' HA ' HG23 ' A' ' 117' ' ' THR . 2.8 m -69.19 147.08 51.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.552 HD23 ' HA ' ' A' ' 117' ' ' THR . 1.3 mm? -78.97 -14.09 59.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -42.18 -35.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -40.36 -41.09 1.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.844 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.1 t -96.94 -33.59 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 112' ' ' LYS . 93.5 m-85 -134.23 82.28 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 111' ' ' PHE . 1.7 ttmm -37.86 -62.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.1 t -41.15 -40.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 25.9 tp -93.79 96.59 9.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.79 66.09 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.447 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 11.6 t -124.1 -174.49 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.724 HG22 ' O ' ' A' ' 105' ' ' ASN . 1.5 p -152.24 165.95 33.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.851 ' HG ' HG13 ' A' ' 99' ' ' VAL . 1.6 mm? -73.25 95.45 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.467 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.4 mt-30 -76.34 -72.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -142.53 154.1 62.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.726 . . . . 0.0 110.913 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.8 Cg_endo -69.74 168.32 21.88 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.749 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 10.9 p90 -80.56 -35.8 33.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.609 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 18.5 mtmt -70.77 -23.07 62.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.495 ' HA ' HD13 ' A' ' 27' ' ' LEU . 3.1 tm-20 -32.06 133.01 0.28 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.727 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 126' ' ' GLU . 53.6 Cg_endo -69.75 150.52 68.41 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.733 2.288 . . . . 0.0 112.358 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 125' ' ' PRO . 53.6 tt0 -34.99 137.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -72.45 87.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -118.9 130.06 55.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 26.0 p -78.3 84.51 4.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 23.3 pt -89.08 178.44 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 54.5 p -42.49 -47.19 5.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -77.29 48.37 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 18.7 t -46.08 100.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.94 133.08 0.68 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 136.31 32.75 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.743 2.295 . . . . 0.0 112.352 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.7 t -78.54 155.78 29.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.3 m 53.76 41.87 31.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 p -172.12 151.6 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.873 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -166.27 137.54 3.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.01 160.02 14.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 t -131.96 144.22 50.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -131.06 173.77 10.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.2 83.18 1.43 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -102.63 136.44 42.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.314 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.79 -58.75 6.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 54.84 41.93 31.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.46 128.69 55.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.063 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -128.69 97.31 4.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -90.04 138.73 31.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -62.63 123.79 19.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.539 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 8.2 p-90 -110.35 37.41 2.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -93.6 140.08 30.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 18' ' ' GLY . 11.7 pt-20 -68.27 -44.59 75.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.453 ' N ' ' HG3' ' A' ' 17' ' ' GLU . . . 156.14 -172.98 34.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 139.69 40.64 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -173.26 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.358 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -40.95 160.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.548 ' O ' HG22 ' A' ' 25' ' ' VAL . 9.7 t0 -87.59 93.33 9.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.525 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 78.3 mt -83.08 -19.89 35.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 t -59.64 -35.76 75.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 22' ' ' ASP . 17.9 m -53.6 -30.71 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.648 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 35.9 m-70 -67.78 159.97 29.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.433 HD22 ' HB3' ' A' ' 123' ' ' LYS . 55.2 mt -86.89 -33.53 19.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.648 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.4 p-90 -82.27 19.4 1.21 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.478 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 9.5 t80 -113.4 94.89 5.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.813 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -94.56 37.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.55 -151.53 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 107.17 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.543 ' HE3' ' HB1' ' A' ' 30' ' ' ALA . 30.1 ttm -140.38 150.67 44.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.493 ' N ' ' HG2' ' A' ' 33' ' ' MET . 50.9 mt-10 -89.15 171.57 9.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.571 ' HD2' ' CE1' ' A' ' 74' ' ' HIS . 4.1 tpp85 -57.22 -65.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' ARG . . . -35.53 -54.92 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.1 -56.18 8.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.95 -33.4 70.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.712 0.291 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.628 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 23.7 mt-10 -74.17 -20.8 60.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 t -94.16 -24.36 17.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.0 mt -76.24 -58.77 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.581 HD22 ' O ' ' A' ' 49' ' ' THR . 10.9 mt -72.02 -12.31 61.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -50.41 -40.76 50.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -95.25 -29.31 14.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.524 ' HE ' HG21 ' A' ' 49' ' ' THR . 29.3 mmm180 -48.96 174.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -96.03 139.97 31.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.1 123.35 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 114.6 -21.71 14.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.581 ' O ' HD22 ' A' ' 42' ' ' LEU . 26.7 m -65.57 100.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 111.113 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.638 ' HB2' HG22 ' A' ' 66' ' ' ILE . 23.7 p90 -88.45 155.7 19.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -154.11 130.55 10.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.493 HG22 HG12 ' A' ' 64' ' ' ILE . 16.8 t -94.17 130.01 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' NH2' ' HD3' ' A' ' 35' ' ' ARG . 24.3 ptt85 -124.67 147.49 48.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.495 ' HG2' ' HB1' ' A' ' 60' ' ' ALA . 12.2 tt0 -117.01 115.47 25.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 10.4 mmt180 -47.67 177.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.4 m -109.99 57.68 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ASP . 26.3 mtpt -140.92 169.77 16.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -35.91 -76.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.96 -22.18 59.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.524 ' O ' ' C ' ' A' ' 61' ' ' GLU . . . 48.11 54.8 9.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.524 ' C ' ' O ' ' A' ' 60' ' ' ALA . 3.7 mt-10 -28.35 108.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.715 ' HB3' HD12 ' A' ' 77' ' ' ILE . 47.7 m-85 -66.44 155.68 36.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.63 139.79 16.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.606 HG13 HD11 ' A' ' 77' ' ' ILE . 60.4 mt -100.63 122.18 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 8.6 t -119.97 131.38 55.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.651 HD13 ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -140.09 168.88 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.409 ' HD2' ' O ' ' A' ' 71' ' ' GLU . 16.2 tptm -90.4 112.07 23.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.529 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 18.0 t80 -139.27 143.79 38.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 1.0 ' O ' HG22 ' A' ' 70' ' ' VAL . 8.4 t-20 50.9 31.08 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.0 HG22 ' O ' ' A' ' 69' ' ' ASN . 1.0 OUTLIER 69.08 24.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -136.2 -179.59 5.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.54 HG21 ' HA ' ' A' ' 39' ' ' GLU . 92.0 t -118.16 92.02 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 65' ' ' SER . 18.8 mmtt -87.74 150.56 23.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.571 ' CE1' ' HD2' ' A' ' 35' ' ' ARG . 7.3 m-70 -120.49 155.12 34.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.604 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.778 HG21 HD13 ' A' ' 86' ' ' ILE . 3.9 mm -128.62 109.4 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.159 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.09 138.46 37.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.715 HD12 ' HB3' ' A' ' 62' ' ' PHE . 83.5 mt -111.77 104.88 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.7 mtm -89.88 139.82 30.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.737 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.3 p -116.86 138.75 51.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.549 ' HB3' HH21 ' A' ' 85' ' ' ARG . . . -149.06 129.92 14.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.083 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 63.71 25.44 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.87 16.18 70.85 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.554 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.737 ' O ' HG22 ' A' ' 79' ' ' THR . 13.0 mt -108.91 168.95 8.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.863 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -122.94 123.72 41.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.549 HH21 ' HB3' ' A' ' 80' ' ' ALA . 18.9 ptt180 -161.39 129.31 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.778 HD13 HG21 ' A' ' 75' ' ' ILE . 5.7 pt -69.42 -20.85 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.413 ' N ' HG13 ' A' ' 86' ' ' ILE . 3.9 t -136.55 148.31 47.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -77.5 45.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -113.13 -35.42 5.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.53 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 26.0 tptt -156.47 122.0 4.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.476 ' CB ' HD13 ' A' ' 83' ' ' LEU . . . -104.11 149.39 25.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.53 ' CZ ' ' HG2' ' A' ' 90' ' ' LYS . 3.4 m-85 -129.41 164.48 23.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 34.9 mmm-85 -58.28 -46.26 86.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -151.14 179.39 27.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.6 mm? -49.45 -61.19 2.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.952 0.406 . . . . 0.0 110.937 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.3 m -33.05 -55.77 0.39 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -63.67 -54.14 40.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.879 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.2 tm? -48.74 -60.86 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.822 HG13 ' HG ' ' A' ' 118' ' ' LEU . 47.4 t -54.33 -44.5 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -47.41 -42.55 22.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.433 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 27.5 t80 -66.64 -54.72 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.879 ' CE2' HD21 ' A' ' 98' ' ' LEU . 22.0 m-85 -60.63 -17.19 45.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.774 ' OE1' HG12 ' A' ' 99' ' ' VAL . 27.9 mt-30 -73.81 -10.4 59.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.523 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 1.7 pt20 -118.91 -20.17 8.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.568 ' O ' HG22 ' A' ' 117' ' ' THR . 8.8 m-80 -119.95 145.35 46.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.565 ' HA ' HG23 ' A' ' 117' ' ' THR . 2.5 t -69.8 132.69 46.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.798 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.418 HD23 HG21 ' A' ' 75' ' ' ILE . 8.3 mp -62.7 -7.6 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -41.89 -30.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -50.74 -44.02 58.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.9 t -86.85 -34.95 19.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 114' ' ' LEU . 99.6 m-85 -134.89 81.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.63 -38.24 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 70.0 m -66.19 -37.04 84.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 111' ' ' PHE . 24.6 tp -98.85 93.91 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -98.31 75.17 2.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.822 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.529 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 12.6 t -129.01 169.54 14.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 105' ' ' ASN . 3.9 p -138.85 162.07 35.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.822 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.0 mm? -72.58 91.94 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.443 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 6.2 mt-30 -72.43 -72.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' PHE . 1.2 m-85 -141.64 153.84 65.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.658 0.742 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.458 ' O ' HG23 ' A' ' 49' ' ' THR . 53.9 Cg_endo -69.7 170.49 16.38 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.813 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 23.1 p90 -81.02 -34.65 32.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 17.9 mtmt -75.51 -15.19 60.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.937 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 123' ' ' LYS . 1.8 tt0 -38.1 126.55 1.03 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.666 0.746 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 149.55 66.82 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 128' ' ' ARG . 19.3 tp10 -89.08 138.52 31.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 128' ' ' ARG . 20.1 pttt -35.45 -31.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 126' ' ' GLU . 0.0 OUTLIER -129.3 146.36 51.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 10.0 t -162.17 140.08 8.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.515 ' O ' HG23 ' A' ' 130' ' ' ILE . 13.0 tt -108.99 44.46 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.164 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 130' ' ' ILE . 36.7 p 36.05 46.09 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.466 ' HB2' HG23 ' A' ' 130' ' ' ILE . 18.5 mmt85 -124.39 88.85 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 75.3 p -157.66 139.18 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 149.13 139.14 3.07 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 179.8 3.47 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.8 t -139.74 150.59 44.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 79.4 p -143.27 169.67 17.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.932 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -149.52 152.24 35.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.354 . . . . 0.0 110.902 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -140.73 108.93 5.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.02 62.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.542 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 m -109.63 96.32 6.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.942 0.401 . . . . 0.0 110.817 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.1 p -80.0 106.3 11.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.19 131.18 1.26 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -98.09 151.92 19.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.78 102.86 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -91.49 165.03 13.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -113.2 175.31 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -123.27 130.05 52.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -146.49 108.94 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -55.35 148.45 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.573 ' O ' ' CG ' ' A' ' 15' ' ' TRP . 5.8 t-105 -112.12 0.31 15.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 15.4 t-105 -90.74 165.65 13.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -80.79 42.17 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.22 169.22 39.34 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.504 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 134.64 28.48 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.656 2.237 . . . . 0.0 112.378 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -179.25 2.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.376 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -54.31 178.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -100.48 94.27 6.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.55 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 64.5 mt -97.95 -18.87 18.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.7 p -60.55 -35.35 75.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -57.82 -22.36 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.565 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 29.9 m-70 -74.35 155.49 38.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 124' ' ' GLU . 57.7 mt -83.75 -31.96 25.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.565 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 7.9 p-90 -84.6 17.46 2.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.479 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 17.9 t80 -112.48 94.06 4.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.95 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.801 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -94.34 33.28 1.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.72 -141.44 0.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.531 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 94.36 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.374 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.504 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 19.3 ttp -129.84 135.72 48.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -83.24 160.92 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.571 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 23.4 ttp-105 -47.39 -55.41 8.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.06 -62.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' ILE . . . -43.32 -53.84 5.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.51 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.436 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -57.19 -38.62 73.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.773 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 19.9 mt-10 -73.01 -27.92 62.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.4 t -93.42 -17.22 23.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.504 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 38.2 mt -84.81 -57.59 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.743 ' CG ' HD23 ' A' ' 51' ' ' LEU . 30.7 mt -75.55 -11.95 60.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -47.44 -56.4 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -80.51 -33.08 36.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.482 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 27.2 mmt180 -42.98 164.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.73 135.63 34.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.99 117.86 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.44 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 122.62 -20.97 7.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.505 ' O ' HD22 ' A' ' 42' ' ' LEU . 10.1 m -64.82 102.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 111.162 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.816 ' CD2' HD12 ' A' ' 118' ' ' LEU . 23.0 p90 -92.63 155.16 17.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.743 HD23 ' CG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -153.9 132.26 11.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.497 HG22 HG12 ' A' ' 64' ' ' ILE . 29.0 t -105.25 127.36 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.4 ptt85 -121.31 165.73 15.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.458 ' O ' ' C ' ' A' ' 55' ' ' ARG . 25.1 tt0 -132.18 107.85 8.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.85 ' HB2' ' HB1' ' A' ' 60' ' ' ALA . 1.3 mpt_? -33.48 142.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 56' ' ' VAL . 19.6 m -68.23 72.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -165.33 160.74 18.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.08 116.01 0.93 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 39.66 33.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.85 ' HB1' ' HB2' ' A' ' 55' ' ' ARG . . . -43.55 126.82 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -39.97 122.51 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.507 ' HB3' HD12 ' A' ' 77' ' ' ILE . 45.4 m-85 -68.44 168.02 13.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.91 143.82 20.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.661 HG13 HD11 ' A' ' 77' ' ' ILE . 64.3 mt -107.06 122.3 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.6 t -128.14 130.41 48.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.658 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -138.49 165.29 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.469 ' HE3' ' C ' ' A' ' 70' ' ' VAL . 24.7 tptt -83.99 115.29 22.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.579 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 17.1 t80 -145.19 142.64 29.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.871 ' O ' HG22 ' A' ' 70' ' ' VAL . 10.1 t-20 51.28 32.25 8.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.871 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 64.72 24.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.196 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.0 pt-20 -142.05 133.49 26.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.689 HG21 ' HA ' ' A' ' 39' ' ' GLU . 65.5 t -74.64 98.04 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -82.64 157.5 23.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.571 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 2.9 m-70 -134.38 144.82 48.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.566 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.65 HG21 HD13 ' A' ' 86' ' ' ILE . 55.9 mt -127.76 130.71 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.39 140.88 38.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.661 HD11 HG13 ' A' ' 64' ' ' ILE . 94.5 mt -112.15 131.49 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.1 mtm -107.19 142.1 37.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 83' ' ' LEU . 1.1 p -116.76 137.43 52.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.28 126.22 5.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.062 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 65.91 24.98 11.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.77 19.78 64.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 79' ' ' THR . 5.3 mt -112.44 170.35 8.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.932 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -131.43 121.62 24.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.778 ' CZ ' ' HB2' ' A' ' 91' ' ' ALA . 13.4 ptt180 -162.03 129.74 4.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.841 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.65 HD13 HG21 ' A' ' 75' ' ' ILE . 13.7 pt -69.05 -23.35 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.1 t -131.53 147.49 52.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -78.11 46.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.464 ' HA ' ' CE ' ' A' ' 89' ' ' LYS . 1.9 mmpt? -109.17 -44.36 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.593 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.0 tmtt? -153.2 115.9 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.778 ' HB2' ' CZ ' ' A' ' 85' ' ' ARG . . . -93.87 152.07 19.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.698 ' CD1' HD23 ' A' ' 98' ' ' LEU . 6.6 m-85 -128.68 141.69 51.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' PHE . 11.7 mmp_? -35.62 -48.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.17 179.02 29.05 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.5 mm? -51.33 -62.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.929 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.9 m -32.46 -42.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 5.9 mm-40 -75.71 -58.3 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.698 HD23 ' CD1' ' A' ' 92' ' ' PHE . 2.6 tm? -45.68 -41.78 10.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.679 HG13 ' HG ' ' A' ' 118' ' ' LEU . 48.6 t -71.39 -41.89 73.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -53.33 -33.03 51.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.532 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 22.6 t80 -73.01 -59.53 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.498 ' CB ' HD23 ' A' ' 118' ' ' LEU . 18.4 m-85 -56.29 -12.02 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.449 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 52.9 mt-30 -73.81 -22.09 59.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.617 ' HG2' ' ND2' ' A' ' 105' ' ' ASN . 4.9 pt20 -115.51 -6.62 12.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.617 ' ND2' ' HG2' ' A' ' 104' ' ' GLN . 0.2 OUTLIER -132.44 118.44 19.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.565 ' HA ' HG23 ' A' ' 117' ' ' THR . 1.4 t -50.84 147.41 4.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.463 HD12 HD13 ' A' ' 75' ' ' ILE . 1.8 mm? -70.2 -11.57 60.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.3 pttt -42.14 -40.07 2.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -48.39 -48.3 36.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.46 ' SG ' HD11 ' A' ' 86' ' ' ILE . 3.6 m -84.75 -40.21 17.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 114' ' ' LEU . 95.5 m-85 -134.37 84.28 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -37.72 -64.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.5 t -39.74 -34.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 111' ' ' PHE . 6.3 tp -100.44 92.11 5.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.26 78.86 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.579 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 11.3 t -136.39 179.04 6.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.565 HG23 ' HA ' ' A' ' 106' ' ' SER . 2.9 p -145.92 149.55 34.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.816 HD12 ' CD2' ' A' ' 50' ' ' PHE . 2.5 mm? -63.83 87.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.44 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 15.7 mt-30 -69.17 -74.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.428 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -140.95 153.74 67.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.661 0.743 . . . . 0.0 110.882 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.8 Cg_endo -69.73 162.9 40.28 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.346 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.801 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 14.2 p90 -74.15 -35.08 64.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.608 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 7.7 mtmm -71.81 -23.36 61.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.466 ' HA ' HD13 ' A' ' 27' ' ' LEU . 1.9 tm-20 -32.87 131.76 0.33 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.667 0.746 . . . . 0.0 110.888 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.498 ' HG2' HG23 ' A' ' 130' ' ' ILE . 54.1 Cg_endo -69.77 148.72 65.65 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 125' ' ' PRO . 8.6 tp10 -34.49 137.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 128' ' ' ARG . 8.3 pttm -59.71 -32.86 70.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.481 ' N ' ' HG3' ' A' ' 127' ' ' LYS . 57.9 mtt180 -49.76 -39.22 37.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 129' ' ' THR . 9.7 t -150.25 113.0 4.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.498 HG23 ' HG2' ' A' ' 125' ' ' PRO . 19.3 mt -110.52 122.42 65.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 71.9 p -43.64 128.07 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -42.38 102.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.2 p -85.99 155.66 20.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -139.01 151.12 21.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 168.53 21.28 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.694 2.262 . . . . 0.0 112.35 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 27.2 t -136.18 116.3 13.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 t -57.61 99.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t -111.25 130.16 55.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -91.06 -59.93 2.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.72 135.78 2.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -119.7 42.24 2.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.825 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -87.59 163.5 16.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.55 107.23 3.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -43.19 -55.26 4.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.755 0.312 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.5 136.1 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -158.6 161.94 37.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.88 117.08 11.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -130.15 132.22 45.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -50.93 137.9 20.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -91.95 42.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.544 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 9.2 p-90 -88.29 37.43 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -108.77 -177.77 3.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -79.71 41.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.58 162.01 0.13 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 160.42 49.76 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.728 2.286 . . . . 0.0 112.358 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -172.46 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.635 2.223 . . . . 0.0 112.36 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.35 167.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -79.24 96.74 6.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.577 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 83.4 mt -98.61 -25.3 14.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.424 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 47.2 t -57.29 -37.17 72.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.6 m -52.97 -31.54 17.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.636 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 19.9 m-70 -64.33 159.05 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 124' ' ' GLU . 78.7 mt -85.06 -34.37 22.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.636 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.6 p-90 -82.58 20.59 1.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.499 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 7.7 t80 -113.79 97.01 6.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.67 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -104.98 34.95 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.081 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 36.84 -154.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 91.85 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.361 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.47 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 24.9 ttp -112.43 145.32 40.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 35' ' ' ARG . 51.2 mt-10 -77.6 136.23 38.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 39.9 ttp180 -36.37 -53.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.67 -52.8 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -48.29 -56.06 9.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.535 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.56 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -56.22 -38.64 71.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.758 0.314 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.912 ' HA ' HG21 ' A' ' 72' ' ' VAL . 43.8 mt-10 -69.67 -24.46 63.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.9 t -95.94 -22.76 17.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.47 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 19.4 mt -77.88 -55.48 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.515 HD13 ' HA ' ' A' ' 66' ' ' ILE . 22.2 mt -75.29 -10.41 59.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -52.52 -47.12 66.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -88.21 -31.56 19.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.4 mmp_? -49.64 173.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.3 137.77 32.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -39.41 125.14 1.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.457 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 114.81 -20.52 14.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.429 ' CG2' ' HA ' ' A' ' 122' ' ' PHE . 12.3 m -65.02 101.34 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 111.166 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.675 ' HB2' HG22 ' A' ' 66' ' ' ILE . 24.0 p90 -91.9 153.31 19.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.583 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -150.26 125.91 10.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.9 HG22 HG12 ' A' ' 64' ' ' ILE . 10.1 t -96.61 126.7 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.439 ' CZ ' ' HA ' ' A' ' 35' ' ' ARG . 35.8 ptt85 -131.94 165.98 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.643 ' NE2' ' CZ ' ' A' ' 62' ' ' PHE . 3.9 tt0 -104.4 169.59 8.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HG3' ' CG ' ' A' ' 61' ' ' GLU . 7.9 mmm180 -94.47 62.43 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 56' ' ' VAL . 21.1 t 36.9 45.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.459 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 28.7 mttm -159.55 164.19 34.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' ALA . 25.7 m-20 -73.22 136.49 44.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 35.3 38.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . . . -75.76 163.63 27.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.085 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.435 ' CG ' ' HG3' ' A' ' 55' ' ' ARG . 12.0 pt-20 -49.6 92.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.836 ' HB3' HD12 ' A' ' 77' ' ' ILE . 58.3 m-85 -51.96 167.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.45 129.6 8.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.04 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.9 HG12 HG22 ' A' ' 52' ' ' VAL . 54.7 mt -97.58 112.43 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 22.8 m -109.92 123.79 50.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.675 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -132.26 165.49 31.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -91.48 114.89 27.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.484 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 14.0 t80 -145.53 143.0 29.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.91 ' O ' HG22 ' A' ' 70' ' ' VAL . 3.7 t-20 50.89 33.92 9.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.91 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.25 24.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 5.2 pt-20 -143.92 144.79 31.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.912 HG21 ' HA ' ' A' ' 39' ' ' GLU . 86.8 t -85.02 96.63 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.489 ' HB3' HD22 ' A' ' 114' ' ' LEU . 25.9 mmtt -82.88 145.04 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -113.8 150.02 34.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.619 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.853 ' CG2' HD13 ' A' ' 86' ' ' ILE . 9.5 mm -126.06 95.88 3.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -50.52 124.2 10.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.836 HD12 ' HB3' ' A' ' 62' ' ' PHE . 66.4 mt -101.5 124.08 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.8 mtm -104.47 140.99 37.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 p -115.77 130.11 56.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.4 121.54 11.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.06 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 64.75 25.08 12.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.23 -10.48 74.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.488 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 5.5 mt -84.38 150.67 25.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.505 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 46.2 m-85 -112.23 125.26 53.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.808 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 10.5 ptt180 -162.22 134.22 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.853 HD13 ' CG2' ' A' ' 75' ' ' ILE . 3.8 pt -75.39 -19.76 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.413 ' N ' HG13 ' A' ' 86' ' ' ILE . 7.4 t -136.87 147.66 46.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -76.94 43.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -113.05 -36.77 4.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.496 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 20.8 tptt -151.38 125.9 9.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.808 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -109.9 152.14 26.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.546 ' CD1' HD23 ' A' ' 98' ' ' LEU . 4.5 m-85 -132.85 157.4 45.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -50.91 -44.27 60.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -155.71 178.44 32.29 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.505 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.0 mm? -50.69 -64.58 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.887 0.375 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.4 m -32.01 -44.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -75.54 -61.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.725 HD13 ' C ' ' A' ' 98' ' ' LEU . 2.3 tm? -43.35 -41.87 4.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.851 HG13 ' HG ' ' A' ' 118' ' ' LEU . 52.1 t -70.44 -40.84 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -51.72 -36.96 48.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.548 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 30.1 t80 -69.8 -57.77 4.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.587 ' CE2' HD11 ' A' ' 98' ' ' LEU . 16.3 m-85 -55.19 -17.82 4.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.515 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 75.5 mt-30 -72.31 -14.61 61.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.528 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 2.6 pt20 -118.35 -9.07 10.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -132.73 137.92 47.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.488 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 8.2 t -59.61 142.52 52.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.485 HD22 HG21 ' A' ' 75' ' ' ILE . 1.9 mt -70.55 -10.9 60.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.0 pttp -41.28 -33.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -40.9 -40.93 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 9.0 t -103.6 -30.8 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.643 ' HE2' HG23 ' A' ' 75' ' ' ILE . 76.8 m-85 -128.98 74.47 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' PHE . 17.7 tptt -36.66 -56.17 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.3 t -49.68 -38.22 31.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 73' ' ' LYS . 16.7 tp -95.53 97.75 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -103.07 71.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.484 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 13.9 t -125.61 176.44 6.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.488 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 17.7 p -145.06 153.54 41.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.851 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.6 mm? -63.47 102.44 0.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.457 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 10.6 mt-30 -83.63 -73.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.445 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -142.87 153.85 61.45 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.64 0.733 . . . . 0.0 110.906 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.6 Cg_endo -69.77 164.32 34.98 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.67 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 9.2 p90 -77.8 -32.82 52.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.612 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 12.8 mtmt -74.1 -20.75 60.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.457 ' HA ' HD13 ' A' ' 27' ' ' LEU . 2.6 tt0 -34.26 128.27 0.46 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.651 0.738 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 148.95 66.51 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -65.43 149.62 49.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -100.37 81.65 2.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.8 -60.66 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.8 p -83.5 170.94 13.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.452 ' O ' HG23 ' A' ' 130' ' ' ILE . 3.3 tp -126.68 124.75 65.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.4 p -138.86 176.62 8.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.88 143.15 41.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.4 m -67.95 110.11 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -157.93 64.88 0.3 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 122.63 9.29 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.651 2.234 . . . . 0.0 112.381 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 32.1 m -66.68 110.4 3.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 69.3 m -153.25 133.34 13.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.534 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 m -134.02 130.01 36.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 m -50.64 172.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.54 117.57 5.91 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 m -86.06 165.58 16.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -67.68 139.26 56.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.13 -87.17 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.531 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -59.18 133.69 56.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.28 160.92 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -147.29 146.93 29.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -163.26 125.47 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.074 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -145.07 114.45 7.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -81.92 147.25 29.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -123.27 136.36 54.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.55 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 8.0 p-90 -105.88 37.71 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.418 ' O ' ' C ' ' A' ' 17' ' ' GLU . 13.9 t-105 -82.48 150.68 26.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' TRP . 9.4 mm-40 -35.6 -41.12 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.77 173.51 37.88 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 137.51 35.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.659 2.239 . . . . 0.0 112.364 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 119.6 6.52 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.31 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.0 147.97 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -132.44 76.23 1.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.578 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 28.8 mt -98.52 -20.34 17.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 m -57.99 -36.8 73.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.1 m -56.38 -16.64 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.578 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 31.9 m-70 -82.49 160.18 22.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 124' ' ' GLU . 82.0 mt -87.95 -35.13 17.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.511 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 6.2 p-90 -82.31 19.51 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 23' ' ' LEU . 18.3 t80 -112.82 96.02 5.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.642 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -100.95 35.62 2.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 36.46 -153.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 90.67 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.449 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 32.0 ttp -119.49 134.22 55.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -66.12 172.84 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 28.8 ttp180 -64.78 -57.31 9.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.26 -54.4 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -46.63 -59.98 5.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.621 ' HB1' HD21 ' A' ' 51' ' ' LEU . . . -57.25 -37.4 72.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.335 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 40.1 mt-10 -68.94 -26.33 65.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 t -93.46 -25.8 17.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.449 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 24.9 mt -73.48 -54.03 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.59 HD12 HG13 ' A' ' 72' ' ' VAL . 19.5 mt -75.43 -15.63 60.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -48.53 -48.38 38.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -86.19 -31.88 21.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.434 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 5.1 mmp_? -46.3 173.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.1 m -94.74 132.32 39.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 46' ' ' SER . 50.7 m-20 -34.39 121.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.466 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 117.29 -20.29 11.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.441 ' O ' HD22 ' A' ' 42' ' ' LEU . 5.9 m -64.94 110.26 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 111.121 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.656 ' CD2' HD12 ' A' ' 118' ' ' LEU . 29.2 p90 -99.07 151.49 20.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.621 HD21 ' HB1' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -149.82 130.11 13.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.513 HG22 HG12 ' A' ' 64' ' ' ILE . 21.1 t -94.92 122.41 46.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.2 ptt85 -127.43 151.28 49.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.712 ' HG2' ' HB3' ' A' ' 60' ' ' ALA . 3.7 tt0 -92.07 176.56 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 56' ' ' VAL . 7.5 tpt180 -98.29 64.52 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 55' ' ' ARG . 6.5 t 34.69 54.63 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -169.79 155.28 5.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -63.6 129.82 41.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 39.41 44.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.062 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.712 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . . . -79.98 -175.87 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -66.39 87.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.828 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.517 ' HB3' HD12 ' A' ' 77' ' ' ILE . 72.3 m-85 -45.05 169.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.825 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.95 130.45 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.635 HG21 HD11 ' A' ' 118' ' ' LEU . 8.7 mt -97.54 105.6 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 9.3 t -110.25 130.21 55.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.663 HD13 ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -134.78 168.61 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.159 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -91.38 113.49 25.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.564 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 17.4 t80 -143.77 145.84 32.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.835 ' O ' HG22 ' A' ' 70' ' ' VAL . 4.6 t-20 51.3 32.75 8.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.835 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 64.44 25.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -143.42 138.6 29.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.59 HG13 HD12 ' A' ' 42' ' ' LEU . 61.3 t -79.84 97.32 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 65' ' ' SER . 16.1 mmtt -82.84 150.14 26.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.574 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 34.4 m-70 -115.08 143.7 44.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.582 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.7 HD11 HD23 ' A' ' 114' ' ' LEU . 28.9 mm -122.68 95.56 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.42 ' O ' ' HB ' ' A' ' 86' ' ' ILE . 1.2 pttm -55.92 138.26 48.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.517 HD12 ' HB3' ' A' ' 62' ' ' PHE . 80.0 mt -116.63 137.83 49.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 28.4 mtm -114.68 139.96 49.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.408 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.1 p -112.07 135.07 53.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -155.15 128.49 8.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 65.2 25.06 12.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.57 14.94 77.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mt -109.84 167.94 9.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.408 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 77.7 m-85 -127.93 120.03 26.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.878 ' NE ' ' HB2' ' A' ' 91' ' ' ALA . 15.5 ptt180 -162.0 138.02 7.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.803 HD11 ' SG ' ' A' ' 110' ' ' CYS . 7.1 pt -77.1 -21.45 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.408 ' O ' ' HD2' ' A' ' 85' ' ' ARG . 5.1 t -133.03 148.09 52.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.447 ' CD ' ' H ' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -79.89 43.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -108.73 -40.25 5.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.601 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 2.4 tmtm? -155.78 113.22 3.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.878 ' HB2' ' NE ' ' A' ' 85' ' ' ARG . . . -95.07 154.99 16.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.103 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.601 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 4.6 m-85 -129.75 145.95 51.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -41.62 -45.36 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -152.99 177.2 30.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.6 mm? -50.72 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 95' ' ' LEU . 8.0 m -32.62 -40.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 31.1 mm-40 -76.87 -58.94 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.628 HD13 ' C ' ' A' ' 98' ' ' LEU . 1.9 tm? -47.23 -35.68 7.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.83 HG13 ' HG ' ' A' ' 118' ' ' LEU . 58.7 t -76.26 -38.57 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -53.26 -37.73 62.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.549 ' CD2' ' OD1' ' A' ' 105' ' ' ASN . 31.0 t80 -67.46 -58.88 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.512 ' CB ' HD23 ' A' ' 118' ' ' LEU . 19.2 m-85 -55.63 -19.81 11.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.514 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 55.8 mt-30 -70.32 -15.37 62.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.527 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 0.8 OUTLIER -116.7 -11.76 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.549 ' OD1' ' CD2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -133.14 138.2 46.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.478 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 34.9 m -64.99 138.4 58.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.02 -5.1 5.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 32.7 pttt -41.26 -45.74 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 24.6 m-20 -42.13 -47.9 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.803 ' SG ' HD11 ' A' ' 86' ' ' ILE . 4.9 m -83.31 -34.03 25.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.457 ' HE2' HG23 ' A' ' 75' ' ' ILE . 72.2 m-85 -134.95 82.59 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -43.02 -34.37 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.5 t -69.32 -36.31 76.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.7 HD23 HD11 ' A' ' 75' ' ' ILE . 28.5 tp -101.72 96.46 7.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -102.27 74.5 1.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.564 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 12.7 t -133.12 -179.78 5.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.478 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 16.7 p -143.83 161.12 39.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.83 ' HG ' HG13 ' A' ' 99' ' ' VAL . 1.9 mm? -70.6 92.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.466 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.9 mt-30 -71.05 -74.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -142.15 153.58 63.53 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.629 0.728 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.4 Cg_endo -69.79 160.96 47.76 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.264 . . . . 0.0 112.339 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.642 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 8.4 p90 -74.28 -35.66 63.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.593 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 23.6 mttm -69.5 -24.99 63.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.6 tm-20 -32.72 132.63 0.31 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.613 0.72 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 126' ' ' GLU . 54.1 Cg_endo -69.74 151.99 69.29 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.659 2.239 . . . . 0.0 112.369 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 125' ' ' PRO . 12.6 tt0 -33.56 137.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.1 pttm -98.61 24.91 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -87.51 100.51 12.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 78.3 p -59.97 133.38 56.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.431 HG23 ' HG2' ' A' ' 132' ' ' ARG . 9.4 tt -166.01 147.08 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.4 t -54.91 103.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.431 ' HG2' HG23 ' A' ' 130' ' ' ILE . 5.4 mmp_? -115.51 167.94 10.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.0 t -80.04 116.95 20.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 116.91 145.86 8.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.03 64.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.742 2.295 . . . . 0.0 112.343 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.2 t -95.27 170.01 9.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 88.0 p -89.23 136.28 33.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.5 p -107.01 144.61 33.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 m -135.06 147.08 49.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.67 -51.46 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.447 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -66.82 87.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.838 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -148.1 127.79 13.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.87 140.68 14.95 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.05 140.69 26.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.766 0.317 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.42 175.92 9.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -105.37 83.24 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -173.86 130.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -109.01 93.14 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -139.22 166.77 23.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -130.24 114.99 16.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 35.2 p90 -101.08 41.39 1.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 22.8 t-105 -94.24 139.88 30.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -71.97 -43.51 65.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.15 145.71 49.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 131.63 21.66 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 179.32 3.74 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.596 ' NE2' ' H ' ' A' ' 21' ' ' GLN . 1.7 mp0 -40.4 153.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -131.61 90.96 2.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.554 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 70.3 mt -98.65 -19.87 17.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.3 t -61.43 -36.06 79.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.0 m -54.01 -24.59 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.554 ' CD2' ' HA ' ' A' ' 23' ' ' LEU . 34.5 m-70 -72.58 163.67 27.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.4 mt -90.86 -31.79 16.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.525 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.5 p-90 -85.15 18.16 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 23' ' ' LEU . 9.8 t80 -110.74 96.46 6.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.694 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -103.21 27.29 7.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.406 ' HA3' ' HD2' ' A' ' 32' ' ' PRO . . . 42.47 -149.95 0.4 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.406 ' HD2' ' HA3' ' A' ' 31' ' ' GLY . 53.6 Cg_endo -69.76 98.46 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.737 2.291 . . . . 0.0 112.32 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.527 ' HE3' ' CB ' ' A' ' 30' ' ' ALA . 11.3 ttm -124.82 135.67 53.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -71.74 155.01 40.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.566 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 53.4 ttt180 -48.47 -44.28 35.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.25 -63.75 1.02 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -39.39 -55.78 2.48 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.448 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -55.7 -42.51 75.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.865 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 20.0 mt-10 -69.07 -24.71 64.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.2 t -93.91 -21.11 19.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 65.6 mt -84.31 -58.1 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.593 ' HG ' HD23 ' A' ' 51' ' ' LEU . 41.5 mt -73.82 -13.83 61.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.865 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -46.18 -59.9 2.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.072 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -76.62 -34.35 58.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.454 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 16.5 mmt180 -42.6 161.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 m -82.69 135.23 35.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -38.13 119.15 0.76 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.45 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 120.76 -20.06 8.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.442 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.424 HG21 ' HD2' ' A' ' 45' ' ' ARG . 15.3 m -65.1 100.16 0.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.801 0.334 . . . . 0.0 111.117 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.698 ' CD2' HD12 ' A' ' 118' ' ' LEU . 24.2 p90 -89.4 152.94 21.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.826 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -149.53 124.94 10.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.936 HG22 HG12 ' A' ' 64' ' ' ILE . 5.4 t -95.23 124.57 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.524 ' HD3' HD11 ' A' ' 51' ' ' LEU . 36.4 ptt85 -132.81 169.37 16.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.667 ' HG2' ' HB3' ' A' ' 60' ' ' ALA . 3.8 tt0 -107.31 166.43 10.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.47 ' O ' ' C ' ' A' ' 56' ' ' VAL . 5.0 tpt180 -80.54 61.17 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' ARG . 10.9 t 32.25 53.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.443 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 15.3 mttm -167.65 153.95 7.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 59' ' ' ALA . 7.6 p-10 -55.63 131.67 46.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 33.58 40.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.667 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . . . -74.26 178.67 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -61.9 97.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.561 ' CE1' ' OE1' ' A' ' 54' ' ' GLN . 45.3 m-85 -51.62 164.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.837 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.78 130.47 7.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.936 HG12 HG22 ' A' ' 52' ' ' VAL . 46.3 mt -101.99 118.74 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.433 ' O ' HD11 ' A' ' 42' ' ' LEU . 27.1 m -120.34 131.51 54.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.677 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -134.39 163.33 37.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.464 ' CE ' ' HA ' ' A' ' 70' ' ' VAL . 24.5 tptt -84.61 115.27 22.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.572 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 14.0 t80 -144.93 139.99 27.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.896 ' O ' HG22 ' A' ' 70' ' ' VAL . 17.3 t30 51.63 32.0 8.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.896 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.08 25.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.4 pt-20 -141.55 132.05 25.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.861 HG21 ' HA ' ' A' ' 39' ' ' GLU . 58.0 t -76.26 99.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -83.45 156.88 22.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.566 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 42.2 m-70 -121.56 144.42 48.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.568 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 64' ' ' ILE . 3.6 mm -123.37 100.22 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.1 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -57.75 125.16 21.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.834 HD11 HG13 ' A' ' 64' ' ' ILE . 80.5 mt -104.14 125.0 58.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 13.4 mtm -103.6 140.87 36.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.2 p -117.34 134.23 55.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.25 118.12 9.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 66.26 25.01 10.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.98 -13.43 67.71 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.476 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 8.8 mt -78.8 155.47 29.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.544 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 77.4 m-85 -117.52 122.32 43.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.708 ' CZ ' ' HB2' ' A' ' 91' ' ' ALA . 15.2 ptt180 -161.88 131.47 4.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.853 HD11 ' SG ' ' A' ' 110' ' ' CYS . 21.1 pt -70.68 -19.63 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.8 t -140.06 153.41 46.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -79.64 45.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -112.66 -40.09 4.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.504 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 32.0 tptt -149.44 120.6 7.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.708 ' HB2' ' CZ ' ' A' ' 85' ' ' ARG . . . -105.05 148.55 26.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.552 ' CD1' HD23 ' A' ' 98' ' ' LEU . 10.2 m-85 -129.78 158.93 38.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -53.7 -44.37 69.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.39 177.96 31.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.544 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 1.8 mm? -53.56 -55.53 24.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.6 m -32.7 -46.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -75.59 -62.0 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.552 HD23 ' CD1' ' A' ' 92' ' ' PHE . 1.8 tm? -39.19 -47.72 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.893 HG13 ' HG ' ' A' ' 118' ' ' LEU . 61.9 t -68.75 -45.18 81.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -53.1 -42.75 66.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 104' ' ' GLN . 29.6 t80 -64.57 -45.64 86.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.617 ' HB3' HD21 ' A' ' 107' ' ' LEU . 9.5 m-85 -66.77 -23.28 66.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.583 HE21 HG12 ' A' ' 99' ' ' VAL . 71.8 mt-30 -65.59 -11.97 48.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.551 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 4.5 pt20 -117.01 -18.3 10.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.551 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 19.5 m-80 -120.21 142.23 49.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.0 t -67.94 136.98 54.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.617 HD21 ' HB3' ' A' ' 102' ' ' TYR . 1.2 mm? -68.34 -11.57 59.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 51.9 pttt -43.12 -44.58 5.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 1.0 OUTLIER -37.45 -48.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.853 ' SG ' HD11 ' A' ' 86' ' ' ILE . 3.6 m -84.25 -34.26 23.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -134.94 84.48 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.77 -39.67 5.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.6 m -64.57 -31.62 72.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.4 ' CD2' HD11 ' A' ' 75' ' ' ILE . 13.8 tp -103.42 96.11 6.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.72 73.7 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.572 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 10.4 t -134.6 170.62 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.8 p -136.41 166.18 24.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.893 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.7 mm? -75.85 86.45 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.45 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 9.3 mt-30 -66.89 -73.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.459 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 1.0 OUTLIER -142.94 155.19 62.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.74 . . . . 0.0 110.893 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 52.9 Cg_endo -69.82 168.86 20.42 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.638 2.225 . . . . 0.0 112.349 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.694 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 11.4 p90 -81.09 -35.57 31.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.623 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 15.3 mtmt -71.35 -21.42 62.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.8 tt0 -33.56 128.56 0.41 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 160.08 51.01 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.696 2.264 . . . . 0.0 112.314 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -57.12 -11.84 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -46.6 96.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.5 mmp_? -73.13 104.84 4.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 24.7 p -138.29 126.77 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.575 HD13 ' N ' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -47.57 175.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.1 m -39.9 99.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -80.32 97.88 7.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 32.4 t -63.54 112.24 2.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -39.97 111.04 0.19 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 172.84 11.98 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.671 2.247 . . . . 0.0 112.321 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.6 t -121.37 143.51 49.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 57.0 m -134.57 130.87 37.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -108.61 170.9 7.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -54.06 168.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.44 80.46 0.57 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -91.77 86.2 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.888 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 m -39.78 -56.29 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.19 66.94 1.53 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.68 126.73 14.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.62 114.88 5.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -156.94 160.79 39.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.6 156.89 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.069 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -106.46 28.35 7.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -106.04 42.35 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -148.68 -175.06 4.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.56 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 10.2 p-90 -81.49 40.59 0.58 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.47 ' CD1' ' HG2' ' A' ' 17' ' ' GLU . 21.3 t-105 -79.82 148.49 31.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.47 ' HG2' ' CD1' ' A' ' 16' ' ' TRP . 11.0 pt-20 -35.36 -42.06 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.93 167.88 15.08 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.446 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 166.13 28.67 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.341 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -172.1 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.657 2.238 . . . . 0.0 112.346 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -40.76 159.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -100.99 105.11 16.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.587 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 83.2 mt -98.14 -18.19 18.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.6 t -62.38 -35.19 78.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -55.4 -22.67 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.61 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 29.4 m-70 -74.69 158.61 33.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.5 mt -87.32 -30.65 20.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.2 p-90 -85.4 18.17 2.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.493 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 14.2 t80 -111.15 94.67 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.818 ' HB2' ' CE1' ' A' ' 122' ' ' PHE . . . -101.47 36.68 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 33.79 -151.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.553 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 92.94 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.735 2.29 . . . . 0.0 112.338 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.4 ttp -118.25 135.57 54.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.9 162.29 26.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.46 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 24.9 ttp180 -58.25 -54.37 47.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -42.63 -46.15 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.77 -63.97 4.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.542 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.51 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -48.72 -34.1 11.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 111.144 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.803 ' HA ' HG21 ' A' ' 72' ' ' VAL . 15.3 mt-10 -77.49 -25.48 50.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.8 t -90.67 -21.37 21.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.823 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.421 ' O ' ' HG2' ' A' ' 45' ' ' ARG . 25.3 mt -84.06 -61.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.79 HD11 HD23 ' A' ' 51' ' ' LEU . 15.4 mt -76.2 0.96 17.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 42' ' ' LEU . . . -36.23 -71.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -116.13 19.92 14.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.46 ' HB2' ' HA ' ' A' ' 42' ' ' LEU . 4.6 mmt180 -54.25 -77.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -177.64 114.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.8 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' SER . 4.8 p-10 -35.05 107.5 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.469 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 120.58 -11.75 10.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.517 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.545 ' CG2' HD22 ' A' ' 42' ' ' LEU . 6.4 m -64.96 99.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 111.106 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.591 ' CD2' HD12 ' A' ' 118' ' ' LEU . 20.3 p90 -91.49 148.84 22.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.79 HD23 HD11 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -150.55 131.24 14.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.689 HG22 HG12 ' A' ' 64' ' ' ILE . 3.4 t -98.59 140.23 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 9.1 ptt-85 -144.26 169.38 18.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -111.31 156.98 20.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 56' ' ' VAL . 17.9 mmm180 -73.29 64.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 56' ' ' VAL . 61.6 t 37.46 51.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.403 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 23.6 mttm -162.69 -176.48 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -99.52 103.9 15.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 59.11 37.79 24.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.403 ' HB2' ' CB ' ' A' ' 57' ' ' LYS . . . -76.2 -64.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.063 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -161.85 105.01 1.2 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.683 ' HB3' HD12 ' A' ' 77' ' ' ILE . 87.1 m-85 -64.98 151.56 45.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.459 ' O ' ' NH1' ' A' ' 53' ' ' ARG . . . -149.89 127.92 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.689 HG12 HG22 ' A' ' 52' ' ' VAL . 15.5 mt -99.76 112.43 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . 2.4 t -114.17 129.74 56.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.786 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.812 HD13 ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -133.21 160.33 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.14 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.471 ' HE3' ' C ' ' A' ' 70' ' ' VAL . 27.1 tptt -86.93 115.27 24.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.43 ' CD2' ' HB ' ' A' ' 116' ' ' THR . 23.4 t80 -145.1 144.8 31.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.875 ' O ' HG22 ' A' ' 70' ' ' VAL . 5.5 t30 51.61 31.36 7.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER 66.06 25.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 3.8 pt-20 -144.35 130.12 19.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.803 HG21 ' HA ' ' A' ' 39' ' ' GLU . 89.2 t -74.73 98.66 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -82.84 150.83 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.517 ' ND1' ' NH2' ' A' ' 53' ' ' ARG . 55.4 m-70 -114.79 146.48 40.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.459 HG21 HD13 ' A' ' 86' ' ' ILE . 3.2 mm -124.54 112.52 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.141 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -70.99 123.96 23.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.683 HD12 ' HB3' ' A' ' 62' ' ' PHE . 71.2 mt -99.26 126.04 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.3 mtm -103.69 139.31 39.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.474 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.2 p -114.85 130.64 56.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.122 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -147.64 122.32 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 64.35 25.25 13.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.49 -11.22 70.66 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.645 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 4.8 mt -87.37 145.87 26.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.792 0.329 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.474 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 34.7 m-85 -110.18 129.92 55.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.791 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 4.4 ptt180 -162.2 129.89 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.459 HD13 HG21 ' A' ' 75' ' ' ILE . 4.7 pt -71.25 -17.59 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.7 t -140.59 152.56 45.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -78.61 45.41 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.84 -43.32 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 25.5 tptt -153.66 127.48 8.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.791 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -105.64 154.41 20.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.081 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 101' ' ' PHE . 7.2 m-85 -134.58 153.39 51.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -47.6 -47.33 28.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.35 -177.93 23.06 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.523 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 96' ' ' THR . 1.3 mm? -57.47 -58.36 8.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.4 m -33.16 -47.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -72.4 -58.1 3.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.963 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.5 tm? -43.63 -54.5 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.842 HG13 ' HG ' ' A' ' 118' ' ' LEU . 59.1 t -60.0 -45.1 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 103' ' ' GLN . 3.9 mt-10 -51.61 -42.69 62.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.487 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 38.0 t80 -65.52 -49.34 69.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.963 ' CE2' HD21 ' A' ' 98' ' ' LEU . 12.6 m-85 -63.26 -21.06 66.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.512 HE21 HG12 ' A' ' 99' ' ' VAL . 69.9 mt-30 -69.57 -9.21 53.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.495 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 1.5 pt20 -119.04 -16.99 9.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.668 ' O ' HG22 ' A' ' 117' ' ' THR . 9.7 m-80 -123.07 146.0 48.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.612 ' HA ' HG23 ' A' ' 117' ' ' THR . 3.4 m -65.91 144.7 56.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.552 HD21 ' HB3' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -76.31 -11.98 60.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.927 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -41.73 -35.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -40.03 -42.15 1.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.0 t -94.95 -30.63 14.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 114' ' ' LEU . 93.2 m-85 -134.94 80.94 1.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 113' ' ' SER . 1.2 pmtp? -41.26 -34.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.437 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 41.5 t -68.0 -39.02 83.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 111' ' ' PHE . 26.4 tp -96.36 96.96 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.963 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.85 69.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.43 ' HB ' ' CD2' ' A' ' 68' ' ' TYR . 10.2 t -125.58 -174.73 3.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.158 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 105' ' ' ASN . 2.8 p -153.05 158.88 42.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.842 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.3 mm? -66.19 99.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.469 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 8.8 mt-30 -80.48 -71.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.454 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -141.25 153.88 66.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 110.904 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 53.5 Cg_endo -69.79 177.7 5.34 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.721 2.281 . . . . 0.0 112.367 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.818 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 5.1 p90 -92.2 -40.03 11.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.606 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 25.8 mttt -65.68 -21.8 66.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 123' ' ' LYS . 3.1 tt0 -32.76 128.6 0.36 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 149.99 68.02 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.698 2.266 . . . . 0.0 112.394 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 127' ' ' LYS . 30.9 tt0 -64.12 -6.67 6.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 126' ' ' GLU . 14.4 mttp -34.51 98.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 126' ' ' GLU . 0.5 OUTLIER -36.53 -67.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.861 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 40.4 p -79.26 110.55 14.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.68 ' H ' HD13 ' A' ' 130' ' ' ILE . 0.2 OUTLIER -101.46 140.37 20.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 179.845 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.5 t -173.08 161.41 4.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.7 -41.5 22.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.5 t -149.46 112.92 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 173.19 83.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 154.57 67.34 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 53.5 p -102.96 158.72 16.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 36.5 t -174.99 114.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.458 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.5 t -149.57 154.87 39.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -80.17 175.47 10.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.68 -138.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -161.87 162.13 29.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -97.24 166.6 11.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.73 -173.89 44.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -74.81 142.55 44.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.28 107.57 18.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -95.03 40.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -173.15 137.91 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -101.96 64.25 0.95 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -152.13 178.17 9.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.951 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -115.02 39.89 2.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 8.1 p-90 -92.64 38.19 1.02 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 12.1 t-105 -110.03 150.75 28.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.962 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -94.87 42.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -135.87 146.61 18.6 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.447 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 155.78 64.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -172.4 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.671 2.247 . . . . 0.0 112.37 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -60.9 161.37 8.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -96.73 79.84 3.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.513 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 46.8 mt -98.66 -23.21 15.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.7 p -58.93 -36.03 74.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.6 m -55.31 -20.3 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.781 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 29.7 m-70 -75.49 159.42 31.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' A' ' 124' ' ' GLU . 41.2 mt -87.45 -32.59 19.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.781 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 5.0 p-90 -82.06 11.8 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.408 ' HH ' ' HE2' ' A' ' 62' ' ' PHE . 12.7 t80 -107.8 94.76 5.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.754 ' HB2' ' CE1' ' A' ' 122' ' ' PHE . . . -94.49 30.52 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.071 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.31 -147.4 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.555 ' HB2' HG22 ' A' ' 56' ' ' VAL . 54.0 Cg_endo -69.73 81.37 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.49 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 24.9 ttp -111.17 136.18 50.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -75.81 141.93 42.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -39.15 -54.21 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.37 -51.33 6.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.02 -45.91 56.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.748 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -65.49 -36.05 82.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.728 0.299 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.659 ' HA ' HG21 ' A' ' 72' ' ' VAL . 19.5 mt-10 -72.89 -23.62 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.4 t -95.7 -24.4 16.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.49 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 23.5 mt -76.33 -55.56 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.529 HD21 ' HB3' ' A' ' 51' ' ' LEU . 21.9 mt -70.56 -16.83 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.44 -53.23 11.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 45' ' ' ARG . 57.9 m-80 -81.95 -32.82 30.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.467 ' CG ' ' HA ' ' A' ' 42' ' ' LEU . 17.2 mmp_? -46.01 172.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -95.13 135.12 37.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' SER . 66.3 m-20 -35.77 124.48 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.47 ' CA ' ' HG3' ' A' ' 119' ' ' GLN . . . 113.21 -20.34 19.17 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.481 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.6 m -64.94 102.07 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.343 . . . . 0.0 111.133 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.82 ' CD2' HD12 ' A' ' 118' ' ' LEU . 23.0 p90 -90.99 152.97 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.831 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -150.15 130.2 13.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.868 HG22 HG12 ' A' ' 64' ' ' ILE . 22.4 t -96.16 130.9 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 -132.42 152.12 51.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.621 ' HG2' ' HB3' ' A' ' 60' ' ' ALA . 26.4 tt0 -127.93 101.73 6.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.624 ' HB2' ' HB1' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -32.58 117.49 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.555 HG22 ' HB2' ' A' ' 32' ' ' PRO . 59.2 t -34.03 90.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.875 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 16.8 mtpt -166.96 -179.12 4.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -67.04 -67.05 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -121.14 32.13 6.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.875 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . . . -43.8 113.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.071 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 60' ' ' ALA . 9.2 pt-20 -34.79 111.1 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.427 ' HB3' HD12 ' A' ' 77' ' ' ILE . 34.7 m-85 -55.21 163.51 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.18 151.39 29.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.868 HG12 HG22 ' A' ' 52' ' ' VAL . 14.1 mt -121.15 106.54 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 46.5 m -104.67 129.82 52.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.67 HD13 ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -134.04 164.09 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.415 ' HE2' ' HA ' ' A' ' 70' ' ' VAL . 16.9 tptm -87.61 114.56 24.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.491 ' CD2' ' OG1' ' A' ' 116' ' ' THR . 15.3 t80 -145.25 143.64 30.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.926 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER 51.32 32.65 8.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.926 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 65.25 25.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.8 pt-20 -143.83 143.2 31.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.659 HG21 ' HA ' ' A' ' 39' ' ' GLU . 98.1 t -82.9 97.33 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 65' ' ' SER . 28.4 mmtt -82.9 144.8 29.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -107.11 148.45 28.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.615 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.422 HG22 HG21 ' A' ' 86' ' ' ILE . 4.7 mm -126.91 101.95 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.161 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -63.35 122.67 16.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.618 HD11 HG13 ' A' ' 64' ' ' ILE . 86.3 mt -99.85 123.5 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.177 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.1 mtm -99.85 141.43 32.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 p -118.83 132.34 56.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.108 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.06 122.91 11.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.08 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 64.2 25.08 13.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 90.54 -10.71 73.74 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.62 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 6.4 mt -82.81 153.26 25.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.592 ' CD2' ' CD2' ' A' ' 95' ' ' LEU . 33.1 m-85 -115.51 124.39 50.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.727 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 30.9 ptt85 -161.87 130.73 4.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.5 HG22 HG12 ' A' ' 77' ' ' ILE . 6.0 pt -72.63 -17.53 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.504 HG21 ' OD2' ' A' ' 109' ' ' ASP . 5.2 t -141.43 154.87 45.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -81.32 49.03 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -112.87 -40.52 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.457 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 24.9 tptt -158.01 119.76 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.727 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -100.37 151.69 21.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.457 ' CZ ' ' HG2' ' A' ' 90' ' ' LYS . 3.9 m-85 -130.86 157.78 41.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -46.48 -46.67 19.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.19 -179.54 32.19 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.456 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.592 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 2.3 mm? -48.14 -60.66 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 95' ' ' LEU . 3.5 m -32.7 -55.49 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.415 ' CB ' ' HB3' ' A' ' 92' ' ' PHE . 57.9 mm-40 -64.33 -58.95 5.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.932 HD21 ' CE2' ' A' ' 102' ' ' TYR . 2.5 tm? -47.09 -62.91 1.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.485 ' N ' HD13 ' A' ' 98' ' ' LEU . 69.1 t -49.79 -42.14 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.418 ' HA ' ' NE2' ' A' ' 103' ' ' GLN . 3.3 mt-10 -58.38 -34.38 70.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.55 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 39.0 t80 -71.76 -56.64 5.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.932 ' CE2' HD21 ' A' ' 98' ' ' LEU . 18.0 m-85 -55.87 -13.14 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.434 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 37.0 mt-30 -76.44 -17.5 59.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.601 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 4.5 pt20 -115.24 -9.24 12.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.601 ' ND2' ' HG3' ' A' ' 104' ' ' GLN . 0.1 OUTLIER -130.28 140.03 50.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.594 ' HA ' HG23 ' A' ' 117' ' ' THR . 16.7 m -56.68 150.98 14.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.709 HD23 ' HA ' ' A' ' 117' ' ' THR . 1.4 mm? -83.42 -15.7 48.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 110' ' ' CYS . 43.2 pttt -41.83 -36.95 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.504 ' OD2' HG21 ' A' ' 87' ' ' THR . 12.7 t0 -35.34 -33.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.466 ' N ' ' O ' ' A' ' 108' ' ' LYS . 12.9 t -108.41 -31.97 7.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 114' ' ' LEU . 92.8 m-85 -129.43 80.24 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 113' ' ' SER . 2.1 pptp? -42.35 -38.57 1.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.463 ' N ' ' HD2' ' A' ' 112' ' ' LYS . 22.5 t -64.71 -36.58 84.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 111' ' ' PHE . 32.8 tp -99.48 96.47 7.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -99.37 67.68 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.491 ' OG1' ' CD2' ' A' ' 68' ' ' TYR . 5.9 t -125.93 -179.77 4.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.709 ' HA ' HD23 ' A' ' 107' ' ' LEU . 2.8 p -144.34 175.12 10.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.82 HD12 ' CD2' ' A' ' 50' ' ' PHE . 2.9 mm? -83.73 98.2 9.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.47 ' HG3' ' CA ' ' A' ' 48' ' ' GLY . 5.9 mt-30 -77.24 -73.03 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.47 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -143.78 154.96 59.69 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.668 0.747 . . . . 0.0 110.899 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 50' ' ' PHE . 54.2 Cg_endo -69.76 170.89 15.52 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.377 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.754 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 7.1 p90 -82.48 -41.76 19.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.592 ' HG3' ' CZ ' ' A' ' 122' ' ' PHE . 17.1 mtmt -63.05 -25.64 68.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.479 ' HA ' HD13 ' A' ' 27' ' ' LEU . 2.0 tt0 -32.66 128.01 0.36 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 126' ' ' GLU . 53.9 Cg_endo -69.72 147.65 63.56 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.335 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 125' ' ' PRO . 9.3 tp10 -37.31 147.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -43.96 -48.85 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -60.26 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 126' ' ' GLU . 19.5 p -73.13 124.4 25.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.5 tt -140.79 131.47 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 84.9 p -88.04 79.08 8.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -40.9 98.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.4 m -155.47 122.7 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.811 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -97.26 -98.49 1.96 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 139.74 40.95 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.33 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 94.4 p -97.1 170.0 9.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 89.0 p -130.85 121.91 26.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.541 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -140.61 158.5 43.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.0 p -107.27 170.15 8.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.17 -156.0 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.523 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -126.46 104.95 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -137.78 111.94 8.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.33 141.99 3.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 29.7 pttt -104.76 -44.17 4.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.468 ' N ' ' HG3' ' A' ' 8' ' ' LYS . . . -49.21 163.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -79.78 45.27 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.36 170.42 14.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 13' ' ' GLN . 33.2 mt-10 -99.22 79.35 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 12' ' ' GLU . 6.6 tt0 34.42 41.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -146.93 129.33 15.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.549 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 8.3 p-90 -128.13 37.38 4.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 19.5 t-105 -115.41 157.31 24.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -86.18 42.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.53 -179.08 0.14 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 150.94 68.99 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.308 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 120.92 7.62 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.719 2.28 . . . . 0.0 112.276 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -150.25 117.32 5.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.93 80.0 6.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.521 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 45.8 mt -98.54 -24.11 15.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.0 t -56.34 -37.2 69.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.4 m -53.82 -28.38 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.792 ' CD2' ' CH2' ' A' ' 28' ' ' TRP . 30.4 m-70 -68.31 161.59 27.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 124' ' ' GLU . 67.5 mt -89.28 -33.38 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.792 ' CH2' ' CD2' ' A' ' 26' ' ' HIS . 4.9 p-90 -81.82 19.07 1.14 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -114.92 95.59 5.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.722 ' HB2' ' CZ ' ' A' ' 122' ' ' PHE . . . -94.73 39.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.111 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 30' ' ' ALA . . . 35.08 -150.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 54' ' ' GLN . 53.8 Cg_endo -69.74 94.73 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.358 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.503 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 33.8 ttp -127.22 144.16 51.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -81.64 172.37 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.585 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 44.5 ttp180 -62.32 -57.95 9.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.75 -50.05 4.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -50.7 -56.94 11.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.48 -40.13 77.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.73 0.3 . . . . 0.0 111.071 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.707 ' HA ' HG21 ' A' ' 72' ' ' VAL . 21.0 mt-10 -66.78 -24.21 66.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.7 t -94.33 -24.18 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.503 ' CD1' ' SD ' ' A' ' 33' ' ' MET . 40.5 mt -76.3 -52.37 17.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.63 HD12 HG13 ' A' ' 72' ' ' VAL . 20.2 mt -75.77 -11.02 59.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.6 -50.06 44.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -85.16 -31.27 23.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.528 ' HD2' HG21 ' A' ' 49' ' ' THR . 85.9 mmt-85 -46.81 172.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.1 m -96.21 137.07 35.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -37.9 123.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.463 ' HA3' ' CD ' ' A' ' 119' ' ' GLN . . . 113.87 -20.26 17.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.523 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.603 ' O ' HD22 ' A' ' 42' ' ' LEU . 20.4 m -65.26 99.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.848 0.356 . . . . 0.0 111.134 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.728 ' CD2' HD12 ' A' ' 118' ' ' LEU . 26.1 p90 -88.32 153.51 21.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.809 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -153.38 128.6 9.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.955 HG22 HG12 ' A' ' 64' ' ' ILE . 12.0 t -94.41 130.74 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.5 ptt85 -127.91 112.17 14.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.595 ' HG3' ' CE2' ' A' ' 62' ' ' PHE . 8.5 tt0 -76.43 120.34 21.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 54' ' ' GLN . 0.9 OUTLIER -46.46 176.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 56' ' ' VAL . 33.7 m -111.12 60.36 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -149.17 169.96 19.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -33.91 -76.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.845 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.17 -19.08 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.068 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.589 ' HB1' ' HG2' ' A' ' 54' ' ' GLN . . . 48.05 54.76 9.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.509 ' C ' ' O ' ' A' ' 60' ' ' ALA . 5.8 pt-20 -28.92 108.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.615 ' HB3' HD12 ' A' ' 77' ' ' ILE . 53.4 m-85 -67.0 154.37 41.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.73 134.93 11.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.955 HG12 HG22 ' A' ' 52' ' ' VAL . 20.1 mt -105.5 111.74 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 24.9 m -108.83 131.91 54.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.676 HG22 ' HB2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -134.73 169.1 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -92.28 115.76 28.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.583 ' CD1' ' HB ' ' A' ' 116' ' ' THR . 10.5 t80 -144.65 142.3 30.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.896 ' O ' HG22 ' A' ' 70' ' ' VAL . 8.2 t-20 50.83 34.06 9.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.896 HG22 ' O ' ' A' ' 69' ' ' ASN . 0.9 OUTLIER 64.87 24.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 69' ' ' ASN . 4.1 pt-20 -142.23 140.89 32.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.707 HG21 ' HA ' ' A' ' 39' ' ' GLU . 96.5 t -82.68 97.63 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 65' ' ' SER . 22.3 mmtt -83.16 152.41 25.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.585 ' CE1' ' HG3' ' A' ' 35' ' ' ARG . 50.6 m-70 -113.97 148.19 37.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.598 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.528 HG22 HG21 ' A' ' 86' ' ' ILE . 4.5 mm -122.5 101.84 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.113 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -62.9 123.32 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.615 HD12 ' HB3' ' A' ' 62' ' ' PHE . 81.5 mt -100.4 131.8 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.7 mtm -111.73 139.13 47.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.465 ' CG2' ' CD2' ' A' ' 84' ' ' TYR . 1.2 p -109.29 129.34 55.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.74 129.77 18.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 62.96 25.33 15.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.01 1.27 89.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.551 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . 7.8 mt -100.85 163.8 12.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.465 ' CD2' ' CG2' ' A' ' 79' ' ' THR . 97.2 m-85 -115.41 127.02 55.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.758 ' HD3' ' HB2' ' A' ' 91' ' ' ALA . 8.6 ptt180 -163.48 125.64 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.548 HD11 ' SG ' ' A' ' 110' ' ' CYS . 11.7 pt -67.78 -21.03 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.456 ' CG2' ' SG ' ' A' ' 110' ' ' CYS . 6.4 t -132.19 147.37 52.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -77.91 44.84 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.85 -36.2 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.64 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -155.72 130.37 9.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.758 ' HB2' ' HD3' ' A' ' 85' ' ' ARG . . . -115.31 142.88 46.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.64 ' CZ ' ' HG2' ' A' ' 90' ' ' LYS . 1.2 m-85 -122.05 169.54 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.404 ' CD ' ' H ' ' A' ' 93' ' ' ARG . 2.1 mpt_? -59.19 -55.81 30.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.23 174.45 23.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 96' ' ' THR . 2.1 mm? -46.21 -55.58 6.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 95' ' ' LEU . 3.3 m -32.94 -47.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -75.95 -61.08 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.692 HD21 ' CE2' ' A' ' 102' ' ' TYR . 1.7 tm? -38.5 -46.71 1.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.815 HG13 ' HG ' ' A' ' 118' ' ' LEU . 31.3 t -70.09 -44.14 78.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 103' ' ' GLN . 3.1 mt-10 -52.13 -36.78 52.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.547 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 35.3 t80 -71.32 -57.6 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.72 ' HB3' HD21 ' A' ' 107' ' ' LEU . 19.8 m-85 -56.22 -12.89 1.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.717 HE21 HG12 ' A' ' 99' ' ' VAL . 61.5 mt-30 -76.39 -19.82 57.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.538 ' HG3' ' ND2' ' A' ' 105' ' ' ASN . 1.4 pt20 -110.55 -15.98 13.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -123.63 129.4 51.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.718 ' HA ' HG23 ' A' ' 117' ' ' THR . 48.2 t -51.9 141.05 18.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.72 HD21 ' HB3' ' A' ' 102' ' ' TYR . 1.3 mm? -74.01 -14.74 61.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 109' ' ' ASP . 18.5 pttp -42.29 -49.04 5.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.481 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 32.9 t0 -34.34 -42.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.548 ' SG ' HD11 ' A' ' 86' ' ' ILE . 3.8 m -90.05 -33.28 16.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 108' ' ' LYS . 83.0 m-85 -135.0 81.74 1.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -42.86 -37.13 1.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 81.1 p -67.2 -35.42 79.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 111' ' ' PHE . 15.3 tp -101.42 96.4 7.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.22 74.41 1.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.583 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 7.9 t -136.42 167.37 21.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.718 HG23 ' HA ' ' A' ' 106' ' ' SER . 0.8 OUTLIER -134.62 151.96 51.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.815 ' HG ' HG13 ' A' ' 99' ' ' VAL . 2.7 mm? -60.62 87.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.463 ' CD ' ' HA3' ' A' ' 48' ' ' GLY . 7.4 mt-30 -68.13 -73.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.441 ' C ' ' CE1' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -143.7 155.18 59.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.657 0.741 . . . . 0.0 110.853 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.476 ' O ' HG23 ' A' ' 49' ' ' THR . 53.9 Cg_endo -69.75 174.6 9.26 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.313 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.722 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 9.3 p90 -90.86 -41.47 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.831 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.567 ' HG3' ' CE1' ' A' ' 122' ' ' PHE . 23.9 mttt -61.32 -24.88 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 123' ' ' LYS . 2.4 tt0 -31.81 127.16 0.33 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 126' ' ' GLU . 54.0 Cg_endo -69.72 168.19 22.2 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.738 2.292 . . . . 0.0 112.348 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 125' ' ' PRO . 5.8 tp10 -34.29 141.66 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -72.59 94.89 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -123.44 -60.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.2 t -129.47 127.44 40.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 6.6 tt -90.27 147.26 5.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.4 t -168.29 130.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 35.5 mtp180 -67.22 134.48 51.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 56.5 m -109.5 163.23 13.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 159.9 -154.21 25.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 94.16 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.72 2.28 . . . . 0.0 112.366 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.9 t -69.19 -59.06 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.4 t 44.03 42.0 4.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 -179.972 . . . . . . . . 0 0 . 1 stop_ save_