data_2wgn_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 2wgn _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 1.597 HG23 ' CG1' ' B' ' 5' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.118 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.462 HG22 ' O ' ' B' ' 25' ' ' VAL . 0.3 OUTLIER -160.54 158.02 28.43 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.261 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 1.608 ' CD2' HD11 ' B' ' 7' ' ' LEU . 61.2 tp -165.05 110.19 0.92 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.744 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.477 ' HA ' HD23 ' B' ' 28' ' ' LEU . 4.5 p30 -120.0 -41.07 2.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -64.19 143.53 57.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.48 13.15 30.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -95.11 -38.43 10.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' B' ' 14' ' ' SER . 9.4 m-20 -84.83 45.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.512 ' HB3' ' HA ' ' B' ' 106' ' ' CYS . 94.8 m -75.6 12.8 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.42 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 44.3 m -59.68 160.85 12.95 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.553 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 29.8 Cg_endo -63.59 75.89 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.272 1.981 . . . . 0.0 111.577 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.8 130.4 45.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.278 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -83.36 138.65 33.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.799 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.494 ' HB2' HG11 ' B' ' 110' ' ' VAL . 7.9 mp -123.5 -174.23 2.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.004 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 43.6 m -155.58 137.35 14.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.84 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -60.71 100.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 133.68 23.54 0.71 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.72 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . 0.448 HE21 ' HB2' ' B' ' 22' ' ' GLN . 0.0 OUTLIER -130.44 133.77 46.59 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.733 179.809 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.71 -179.58 3.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.405 0.621 . . . . 0.0 111.795 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 0.528 ' HB3' ' HB2' ' B' ' 76' ' ' PHE . 28.5 tp -161.49 81.77 0.6 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.685 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.519 HG11 ' HG2' ' B' ' 75' ' ' ARG . 18.5 t -95.12 87.63 2.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.03 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 1.596 HD12 ' CD2' ' B' ' 26' ' ' LEU . 76.0 mt -57.53 160.58 4.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.253 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 62.5 m -152.6 108.61 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.76 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' B' ' 8' ' ' ASP . 78.2 mt -131.42 148.29 69.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.99 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.05 137.89 22.19 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.47 2.113 . . . . 0.0 112.353 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 75.9 p -159.76 159.17 32.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -125.5 102.23 29.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.51 2.42 5.18 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.504 2.136 . . . . 0.0 112.39 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 7.6 t -91.78 -6.2 52.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 62.3 p -101.0 -66.27 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.333 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.21 -28.52 1.68 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.04 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -84.29 105.15 14.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.907 0.384 . . . . 0.0 110.88 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.447 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 6.9 mpt_? -103.16 -163.2 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.017 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.447 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 92.0 m95 -109.54 107.9 18.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.639 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.0 133.37 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.982 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 1.602 HD13 ' CD2' ' B' ' 40' ' ' LEU . 54.6 tp -89.98 109.57 20.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.674 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -93.99 -73.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.081 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.536 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 49.5 t-20 -109.61 92.42 12.06 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.541 ' HB3' HD13 ' B' ' 40' ' ' LEU . 91.9 Cg_endo -79.59 13.61 2.05 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.533 2.155 . . . . 0.0 112.661 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.58 28.62 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.987 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.63 -8.53 2.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.42 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -63.67 -34.57 78.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.207 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 33.6 m -127.87 -36.88 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.562 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 1.597 HD21 ' CD1' ' B' ' 48' ' ' LEU . 12.6 mt -88.71 133.96 34.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.829 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -101.66 138.61 38.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.016 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.853 0.359 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 81.3 p -95.12 128.91 42.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 67.2 m -141.85 110.6 6.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.971 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 13.8 m-90 -108.87 113.29 26.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.519 ' HG2' HG11 ' B' ' 25' ' ' VAL . 96.4 mtt180 -100.29 115.76 30.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.528 ' HB2' ' HB3' ' B' ' 24' ' ' LEU . 80.3 m-85 -117.91 166.47 12.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -147.98 133.31 18.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.56 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 1.586 HG13 ' CG2' ' B' ' 78' ' ' VAL . 48.2 t -79.44 141.34 15.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.347 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -131.58 -41.79 1.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.178 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -131.66 166.82 20.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.669 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 73.0 m -93.7 -170.18 2.28 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.162 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.23 161.47 11.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.446 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -81.44 153.4 26.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.771 0.319 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -171.16 178.53 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -150.82 132.35 14.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.443 ' HG ' HD12 ' B' ' 88' ' ' LEU . 10.5 tp -92.31 136.82 32.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.588 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.536 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 10.6 mt-10 -138.01 123.97 20.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.952 0.406 . . . . 0.0 111.412 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.443 HD12 ' HG ' ' B' ' 86' ' ' LEU . 5.0 mp -140.64 133.17 28.6 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.506 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 28.1 m -116.44 167.96 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.196 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -111.62 101.15 9.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.487 ' HB3' ' HA ' ' B' ' 100' ' ' PRO . 37.7 ptt180 -166.34 173.34 10.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.479 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 99.3 mtt180 -66.42 118.83 57.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.528 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -61.61 -25.16 78.89 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.759 2.306 . . . . 0.0 113.124 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' TRP . . . . . 0.424 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 13.7 p90 -81.35 4.84 19.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.672 0.272 . . . . 0.0 111.517 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . 0.479 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 39.7 mt-10 -100.11 -179.17 4.06 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -143.54 115.26 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.048 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 56.49 26.6 11.09 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.7 -172.85 0.29 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -101.13 99.98 12.11 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . 0.487 ' HA ' ' HB3' ' B' ' 91' ' ' ARG . 73.6 Cg_endo -76.11 138.46 20.47 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.486 2.124 . . . . 0.0 112.616 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.48 -61.44 1.83 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.771 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -96.61 -174.16 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.54 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 44.9 t -163.67 172.22 14.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.286 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -169.09 141.25 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 78.6 p -173.07 111.31 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 111.068 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' CYS . . . . . 0.512 ' HA ' ' HB3' ' B' ' 13' ' ' CYS . 56.6 m -124.35 164.9 18.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.01 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.14 155.12 18.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.188 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 78.8 mt -147.16 140.97 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.633 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -147.24 121.89 9.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.645 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 1.605 HG21 ' CG1' ' B' ' 110' ' ' VAL . 17.1 t -103.89 154.13 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.024 0.44 . . . . 0.0 111.188 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.148 -0.929 . . . . 0.0 110.905 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 1.607 ' CG1' HG22 ' B' ' 5' ' ' VAL . 98.6 t . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.692 0.282 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -77.11 161.24 28.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.263 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 1.605 ' CD1' HD23 ' B' ' 7' ' ' LEU . 62.6 tp -151.49 147.41 26.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -145.15 -29.32 0.45 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -128.68 128.92 45.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.1 96.52 0.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -134.65 -55.9 0.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.975 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -76.91 -8.96 58.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.654 ' HB3' ' HA ' ' B' ' 106' ' ' CYS . 77.5 m -79.46 103.6 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.511 ' HB3' ' HD3' ' B' ' 15' ' ' PRO . 44.0 t -179.12 -49.15 0.0 OUTLIER Pre-proline 0 CA--C 1.531 0.246 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . 0.555 ' C ' HD11 ' B' ' 16' ' ' LEU . 95.0 Cg_endo -83.8 4.15 7.18 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.339 2.026 . . . . 0.0 113.968 -178.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 1.594 ' CD1' HD21 ' B' ' 16' ' ' LEU . 0.4 OUTLIER 39.53 19.8 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.535 ' HG2' ' HG2' ' B' ' 15' ' ' PRO . 43.6 pttt -78.85 105.08 9.91 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.508 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 1.6 ' CD2' HD11 ' B' ' 18' ' ' LEU . 1.7 mm? -126.83 -168.03 1.81 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.023 0.44 . . . . 0.0 111.852 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 82.6 m -165.76 142.92 5.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.83 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.567 ' HG2' HG21 ' B' ' 78' ' ' VAL . 94.7 mt-30 -66.29 131.05 45.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.825 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.49 ' HA3' ' NH2' ' B' ' 77' ' ' ARG . . . 117.85 18.44 5.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.482 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -131.33 145.99 52.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.699 0.285 . . . . 0.0 110.586 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.599 ' HG2' ' HB2' ' B' ' 77' ' ' ARG . 43.8 mt-10 -117.88 -175.64 2.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.139 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 1.603 HD22 ' CD1' ' B' ' 24' ' ' LEU . 7.2 tt -164.7 140.86 5.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.072 0.463 . . . . 0.0 111.457 179.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 1.602 ' CG2' HG13 ' B' ' 25' ' ' VAL . 58.5 t -134.35 94.27 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.545 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.1 tp -81.29 146.25 30.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.184 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.8 m -154.68 102.82 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 88.6 mt -106.37 148.84 37.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -79.51 132.69 10.15 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.589 2.192 . . . . 0.0 112.361 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.1 p -139.91 -179.86 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.908 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . 0.406 ' ND2' HG22 ' B' ' 34' ' ' THR . 51.6 t30 -141.28 96.45 7.1 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.791 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -58.31 -19.42 42.73 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.502 2.135 . . . . 0.0 112.268 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 55.9 m -59.79 -33.87 72.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.406 HG22 ' ND2' ' B' ' 31' ' ' ASN . 71.6 p -81.21 -63.65 1.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.219 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.13 -24.55 3.25 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.047 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -77.04 98.59 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.933 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.426 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -100.24 -160.25 0.79 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.037 179.286 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.426 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 90.3 m95 -114.9 130.79 56.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.809 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -111.98 141.84 45.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -92.05 104.69 17.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.987 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -84.73 -14.57 47.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.772 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.587 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 55.4 t-20 -169.32 85.87 0.62 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.721 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -78.08 11.69 2.25 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.584 2.189 . . . . 0.0 112.674 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' B' ' 46' ' ' SER . . . 55.18 35.88 25.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.29 11.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.564 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.455 ' H ' ' C ' ' B' ' 44' ' ' ALA . 42.9 t -92.94 -24.5 18.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.208 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 32.8 m -136.31 -35.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.717 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 1.596 HD21 ' CD1' ' B' ' 48' ' ' LEU . 85.4 mt -86.92 147.78 25.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.991 0.424 . . . . 0.0 111.182 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' B' ' 76' ' ' PHE . 0.3 OUTLIER -124.28 -162.15 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.391 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.488 ' HB2' ' HB3' ' B' ' 77' ' ' ARG . 6.9 mmt180 . . . . . 0 N--CA 1.462 0.14 0 CA-C-O 120.725 0.298 . . . . 0.0 111.159 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.819 0.342 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 45.1 t -73.69 166.87 22.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 65.9 m -144.44 125.35 14.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 111.168 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 7.9 m-90 -125.44 137.7 54.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.698 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.472 ' HG2' HG13 ' B' ' 25' ' ' VAL . 94.4 mtt180 -131.67 147.03 52.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.424 ' HA ' ' O ' ' B' ' 49' ' ' LYS . 1.1 m-85 -148.64 173.28 13.36 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.487 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.599 ' HB2' ' HG2' ' B' ' 23' ' ' GLU . 6.3 tpt180 -163.94 130.02 3.08 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.676 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 1.606 ' CG1' HG22 ' B' ' 78' ' ' VAL . 23.2 t -66.43 122.1 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.577 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.33 0.67 1.72 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.837 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -153.22 155.62 36.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.933 0.397 . . . . 0.0 111.586 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.689 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 12.1 p -87.86 164.09 16.07 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.877 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 131.2 161.94 10.41 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.677 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . 0.417 ' HA ' ' HG3' ' B' ' 109' ' ' GLN . 3.6 p30 -93.9 135.63 35.03 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.827 0.346 . . . . 0.0 111.039 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -152.58 179.66 8.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.107 0.48 . . . . 0.0 111.225 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -160.81 111.77 1.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.78 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 1.567 ' CD1' HD22 ' B' ' 86' ' ' LEU . 2.1 mt -62.04 140.27 58.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.742 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.587 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 29.0 mt-10 -138.85 116.35 11.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.221 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.572 HD12 HD13 ' B' ' 86' ' ' LEU . 5.0 mp -129.71 108.94 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.678 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 33.2 m -98.62 171.02 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 111.266 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' TYR . . . . . 0.454 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 37.0 t80 -122.0 101.98 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.93 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.417 ' HB3' ' HA ' ' B' ' 100' ' ' PRO . 39.3 ptt180 -164.47 177.06 8.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.487 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 98.9 mtt180 -65.15 123.11 83.15 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.633 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 3.0 Cg_exo -73.34 -11.49 24.78 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.89 2.393 . . . . 0.0 113.119 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' TRP . . . . . 0.487 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 34.5 p90 -99.32 15.16 27.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.35 . . . . 0.0 111.043 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -117.74 145.27 44.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.043 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -91.94 95.05 9.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.6 t70 57.51 95.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.41 171.25 14.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 39.6 mt-10 -68.4 112.77 12.02 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 99' ' ' GLU . 7.8 Cg_endo -88.61 139.24 3.97 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.148 2.566 . . . . 0.0 112.365 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . 0.441 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -69.58 -60.37 2.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.668 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.454 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 19.3 mt-10 -101.18 -175.52 2.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.673 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 33.7 t -166.04 161.45 17.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.946 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -159.01 150.1 20.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.823 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 79.9 p -163.88 147.81 10.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' CYS . . . . . 0.654 ' HA ' ' HB3' ' B' ' 13' ' ' CYS . 8.8 m -142.49 139.51 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.448 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.485 ' HB2' ' HB3' ' B' ' 16' ' ' LEU . . . -84.39 127.97 34.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.042 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . 0.484 HG22 HD23 ' B' ' 48' ' ' LEU . 25.4 mt -143.57 134.02 21.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.946 0.403 . . . . 0.0 111.513 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . 0.417 ' HG3' ' HA ' ' B' ' 83' ' ' ASP . 26.6 tt0 -160.52 144.72 14.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.873 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 1.604 HG23 ' CG1' ' B' ' 110' ' ' VAL . 5.1 t -118.0 164.88 13.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.685 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.565 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 5.2 mpt_? . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.179 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 1.592 HG21 ' CG1' ' B' ' 5' ' ' VAL . 84.9 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.745 0.307 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.554 HG21 HG12 ' B' ' 25' ' ' VAL . 5.0 m -83.68 164.47 19.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.068 0.461 . . . . 0.0 111.629 -179.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 59.7 mt -141.09 -176.19 4.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.444 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -166.46 -26.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.302 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -142.75 162.02 36.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.009 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.02 -38.53 20.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.482 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -56.72 -30.59 63.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.62 -25.41 41.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.974 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 90.4 m -64.6 131.02 45.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.506 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 20.0 m -147.35 161.43 36.18 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.423 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 19.0 Cg_endo -59.12 82.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.334 2.023 . . . . 0.0 111.85 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 42.7 tp -81.13 163.4 23.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.116 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.469 ' HD3' ' H ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -109.27 81.36 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.798 179.779 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 mp -71.8 -170.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.284 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.8 t -171.88 155.03 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.928 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.472 HE21 ' HA ' ' B' ' 80' ' ' ALA . 94.2 mt-30 -54.59 105.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.727 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 141.55 -16.1 2.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.326 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -100.3 165.83 11.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.663 0.268 . . . . 0.0 110.431 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.466 ' HG2' ' HA ' ' B' ' 77' ' ' ARG . 44.8 mt-10 -141.71 -161.23 1.19 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.835 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 0.495 ' HG ' ' N ' ' B' ' 25' ' ' VAL . 1.7 tp -159.85 151.4 19.95 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.281 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 1.597 HG23 ' CG1' ' B' ' 25' ' ' VAL . 0.8 OUTLIER -141.87 89.26 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.629 178.805 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 1.603 HD13 ' CD2' ' B' ' 26' ' ' LEU . 97.8 mt -65.16 146.8 54.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.6 m -142.65 127.07 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.811 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.506 HD12 ' N ' ' B' ' 28' ' ' LEU . 0.0 OUTLIER -149.93 163.8 23.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.957 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -82.93 119.24 2.83 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 123.038 2.492 . . . . 0.0 112.018 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 80.3 p -161.1 -173.98 4.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.998 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . 0.452 ' HB3' ' HD2' ' B' ' 32' ' ' PRO . 77.4 m-20 -130.49 159.03 72.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.549 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . 0.452 ' HD2' ' HB3' ' B' ' 31' ' ' ASN . 43.0 Cg_endo -65.13 -150.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.583 2.189 . . . . 0.0 112.191 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 73.9 p -56.26 83.84 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 111.265 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.451 ' N ' ' O ' ' B' ' 32' ' ' PRO . 56.3 p -120.61 -62.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.154 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.36 -60.44 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.645 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -93.38 114.37 26.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 111.273 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.446 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 16.8 mmm180 -113.51 -159.64 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.22 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.446 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 88.1 m95 -121.05 122.11 39.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.917 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -100.12 150.24 22.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.733 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 97.8 mt -95.52 100.67 12.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.191 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.432 HH11 ' NH2' ' B' ' 91' ' ' ARG . 24.2 mmm180 -71.86 -25.14 61.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.398 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.598 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 59.8 t30 -169.77 91.62 0.53 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.572 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -73.68 14.63 0.62 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.592 2.195 . . . . 0.0 112.746 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.41 ' HB1' HD21 ' B' ' 48' ' ' LEU . . . 54.18 27.52 7.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.936 0.398 . . . . 0.0 111.085 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.63 -11.51 3.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.403 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 44.9 t -62.18 -37.0 83.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.042 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.428 HG22 ' HG ' ' B' ' 48' ' ' LEU . 27.9 m -125.87 -42.26 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.474 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 1.607 HD22 ' CD1' ' B' ' 48' ' ' LEU . 15.7 mt -83.53 162.45 20.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.628 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -121.25 144.67 48.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.7 179.759 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.772 0.32 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 49.4 m -87.96 112.29 22.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 61.4 m -112.56 121.41 44.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.436 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 78.4 m95 -101.6 113.86 27.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.825 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.504 ' HG2' HG23 ' B' ' 25' ' ' VAL . 72.9 mtp180 -101.43 127.72 47.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -135.24 141.49 45.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.466 ' HA ' ' HG2' ' B' ' 23' ' ' GLU . 8.5 tpp180 -121.85 136.19 54.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.562 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 1.601 HG23 ' CG1' ' B' ' 78' ' ' VAL . 62.1 t -75.65 128.3 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.829 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -112.84 -39.64 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.654 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.472 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -135.48 156.99 48.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.803 0.335 . . . . 0.0 111.222 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.45 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 28.8 p -73.97 -174.12 1.77 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.89 156.39 13.4 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.495 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . 0.459 ' HA ' ' HA ' ' B' ' 109' ' ' GLN . 3.8 p30 -90.68 147.05 23.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.804 0.335 . . . . 0.0 111.247 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.402 ' OD1' ' HA ' ' B' ' 44' ' ' ALA . 1.9 t70 -162.61 -172.57 3.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.591 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -156.0 119.1 4.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.161 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 1.601 HD11 ' CD2' ' B' ' 86' ' ' LEU . 11.9 mt -70.44 140.45 51.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.746 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.598 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 18.6 mt-10 -136.04 118.92 16.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.5 mp -131.16 153.4 49.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.607 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 1.574 HG21 ' CG1' ' B' ' 89' ' ' VAL . 8.5 p -141.81 156.39 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.065 0.459 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' TYR . . . . . 0.456 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 61.8 t80 -105.68 109.66 21.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.887 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.446 ' HD3' ' HB3' ' B' ' 100' ' ' PRO . 38.3 ptt180 -169.51 176.97 4.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.422 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 97.4 mtt180 -61.63 127.7 89.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.377 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.97 -23.0 19.02 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.553 2.168 . . . . 0.0 113.377 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' TRP . . . . . 0.422 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 6.5 p90 -80.33 -13.34 59.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.655 0.264 . . . . 0.0 111.383 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -84.11 145.35 28.47 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.753 0.311 . . . . 0.0 111.067 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -92.72 -45.72 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.731 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -152.89 102.19 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.762 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.69 -170.38 3.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -89.96 108.11 23.71 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . 0.446 ' HB3' ' HD3' ' B' ' 91' ' ' ARG . 70.7 Cg_endo -74.39 -175.95 2.49 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.587 2.191 . . . . 0.0 112.361 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -112.59 -64.49 1.29 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.228 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.456 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 5.3 mm-40 -100.68 -163.78 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.267 0.556 . . . . 0.0 112.051 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' SER . . . . . 0.443 ' H ' ' HB3' ' B' ' 102' ' ' GLU . 79.2 p -169.34 155.94 6.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.612 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -163.31 116.96 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.909 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 80.0 p -134.09 150.84 51.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 71.8 m -146.5 151.58 37.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -94.68 140.07 30.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.27 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . 0.473 HD13 ' HG ' ' B' ' 86' ' ' LEU . 95.9 mt -145.53 117.64 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.037 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . 0.459 ' HA ' ' HA ' ' B' ' 83' ' ' ASP . 25.8 mt-30 -126.88 141.31 51.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 1.57 HG11 ' CG2' ' B' ' 110' ' ' VAL . 2.2 t -120.23 178.58 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.384 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.408 ' H ' ' CG1' ' B' ' 110' ' ' VAL . 33.3 mmt180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.162 -0.923 . . . . 0.0 111.774 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.491 HG22 HD13 ' B' ' 24' ' ' LEU . 25.4 m . . . . . 0 C--O 1.232 0.181 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.05 170.15 10.46 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.987 0.422 . . . . 0.0 111.818 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 1.587 ' CD2' HD13 ' B' ' 7' ' ' LEU . 64.6 tp -164.02 148.95 10.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.689 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -142.57 -48.33 0.34 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.045 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -80.51 -179.7 7.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.36 -1.95 3.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.26 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -82.54 -32.0 28.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -84.88 -0.58 54.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 31.8 m -62.31 149.65 41.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.047 0.451 . . . . 0.0 111.266 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 34.2 t -170.58 147.74 2.59 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.275 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.54 83.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.345 2.03 . . . . 0.0 111.893 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 1.597 HD22 ' CD1' ' B' ' 16' ' ' LEU . 13.8 mt -76.3 178.5 6.44 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.55 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -131.1 90.67 2.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.424 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.537 ' HB2' HG13 ' B' ' 110' ' ' VAL . 10.3 mp -70.59 -170.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.975 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.0 m -146.59 138.66 24.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.048 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -58.73 97.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.802 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.447 ' HA3' ' NH2' ' B' ' 77' ' ' ARG . . . 153.07 -39.4 0.72 Allowed Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.005 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -86.7 -167.92 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.691 ' HB2' ' HA ' ' B' ' 77' ' ' ARG . 3.3 pt-20 -173.49 -164.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.391 -0.524 . . . . 0.0 112.133 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 0.635 ' HG ' ' N ' ' B' ' 25' ' ' VAL . 0.2 OUTLIER -156.37 150.98 25.78 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.231 179.526 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 1.59 ' CG2' HG12 ' B' ' 25' ' ' VAL . 73.5 t -129.06 115.0 34.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.588 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 1.587 HD13 ' CD2' ' B' ' 26' ' ' LEU . 90.5 mt -88.09 157.82 18.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.283 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 87.3 m -158.35 107.51 2.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.9 mt -126.99 142.48 43.8 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.944 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.54 148.29 87.41 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.671 2.247 . . . . 0.0 112.262 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 63.1 p -169.47 117.56 0.62 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -87.96 113.59 55.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.18 -0.53 8.73 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.45 2.1 . . . . 0.0 112.415 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 56.1 m -72.85 -29.93 63.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 51.9 p -82.7 -67.42 0.79 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.308 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.1 -32.6 1.88 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.172 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -70.56 98.21 1.44 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.996 0.427 . . . . 0.0 110.878 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.422 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 14.9 mmm180 -93.84 -160.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.111 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.422 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 95.4 m95 -115.13 124.23 50.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.875 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -109.95 134.12 52.44 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.42 HD22 ' HG ' ' B' ' 88' ' ' LEU . 96.0 mt -83.43 100.2 10.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -74.29 -20.82 60.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.553 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.576 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 61.5 t30 -168.65 92.6 0.6 Allowed Pre-proline 0 CA--C 1.529 0.168 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.739 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -78.56 12.42 2.16 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.644 2.229 . . . . 0.0 112.806 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.485 ' HB1' HD21 ' B' ' 48' ' ' LEU . . . 53.52 32.5 14.32 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.812 0.339 . . . . 0.0 110.737 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.26 -17.34 1.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.896 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.404 ' HB3' ' OD1' ' B' ' 84' ' ' ASP . 39.4 t -59.05 -23.93 62.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.394 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 m -137.68 -27.13 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 1.608 HD21 ' CD1' ' B' ' 48' ' ' LEU . 79.7 mt -94.51 155.4 16.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.817 0.342 . . . . 0.0 110.999 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.497 ' HA ' ' HE3' ' B' ' 49' ' ' LYS . 0.2 OUTLIER -135.4 -155.96 0.68 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.551 179.842 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.561 ' NE ' ' HA ' ' B' ' 50' ' ' ARG . 3.4 mmp_? . . . . . 0 C--N 1.332 -0.189 0 CA-C-O 121.065 0.459 . . . . 0.0 111.083 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.908 0.385 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 58.0 m -99.77 143.64 29.76 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.121 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 59.3 m -146.3 121.99 10.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 7.9 m-90 -125.08 153.67 42.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.43 ' HD2' ' HB3' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -150.16 116.76 5.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.77 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.539 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 0.2 OUTLIER -121.05 145.77 47.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.025 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.691 ' HA ' ' HB2' ' B' ' 23' ' ' GLU . 2.9 tmt_? -114.88 138.71 50.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.742 0.306 . . . . 0.0 110.936 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 1.603 HG11 ' CG2' ' B' ' 78' ' ' VAL . 61.5 t -61.98 108.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.063 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.427 ' HB3' ' HB2' ' B' ' 49' ' ' LYS . . . -85.89 -59.01 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -142.09 -177.36 5.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.117 0.484 . . . . 0.0 111.42 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.553 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 58.5 m -84.48 174.18 10.25 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.981 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.2 158.49 9.82 Favored Glycine 0 N--CA 1.453 -0.227 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.449 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -94.59 132.06 39.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 111.268 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.404 ' OD1' ' HB3' ' B' ' 46' ' ' SER . 4.0 m-20 -148.12 -178.33 6.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -156.39 118.77 4.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 1.59 HD13 ' CD2' ' B' ' 86' ' ' LEU . 17.0 mt -67.56 142.29 56.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.996 0.427 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.576 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 25.5 mt-10 -135.68 106.88 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.663 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.434 ' N ' HD13 ' B' ' 88' ' ' LEU . 5.4 mp -119.17 115.3 23.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.767 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 35.1 m -107.7 138.86 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' TYR . . . . . 0.506 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 56.2 t80 -87.12 101.18 13.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.82 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.54 ' HD3' ' HG3' ' B' ' 100' ' ' PRO . 40.3 ptt180 -163.89 -175.6 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.402 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 99.0 mtt180 -78.61 114.05 39.98 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.574 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.48 -29.22 45.15 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.623 2.215 . . . . 0.0 113.171 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' TRP . . . . . 0.402 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 7.9 p90 -71.03 -5.33 30.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.581 0.229 . . . . 0.0 111.311 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -96.6 160.85 14.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 0.0 110.956 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -91.16 -58.28 2.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -140.81 108.05 5.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.51 146.18 31.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.026 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 7.0 pt-20 -59.91 111.59 4.13 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . 0.54 ' HG3' ' HD3' ' B' ' 91' ' ' ARG . 3.0 Cg_exo -74.22 139.86 27.05 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.666 2.244 . . . . 0.0 112.206 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.15 -58.95 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.719 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.506 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 5.2 mm-40 -104.23 -161.89 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.388 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' SER . . . . . 0.408 ' H ' ' HB3' ' B' ' 102' ' ' GLU . 80.2 p -171.83 153.53 3.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.975 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -153.36 143.3 22.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.981 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 80.0 p -159.88 137.86 10.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.622 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 8.4 t -142.81 138.95 30.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.997 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.29 133.08 38.9 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.151 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . 0.538 HD13 ' HG ' ' B' ' 86' ' ' LEU . 96.3 mt -146.04 106.02 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.252 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' B' ' 16' ' ' LEU . 82.7 mt-30 -119.63 170.85 8.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.757 0.313 . . . . 0.0 110.779 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 1.601 HG23 ' CG1' ' B' ' 110' ' ' VAL . 21.7 t -141.72 155.61 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.736 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.413 ' N ' HG23 ' B' ' 110' ' ' VAL . 24.0 tpt180 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.395 -0.812 . . . . 0.0 110.983 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 121.071 0.463 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 m -74.26 162.54 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.659 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 1.606 ' CD1' HD23 ' B' ' 7' ' ' LEU . 60.8 tp -161.97 150.72 15.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.511 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -138.97 -42.05 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.014 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -91.88 152.69 19.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.566 ' C ' ' H ' ' B' ' 12' ' ' ASP . . . -85.84 -176.78 6.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.248 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 t70 64.1 -15.53 0.08 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.282 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.566 ' H ' ' C ' ' B' ' 10' ' ' ALA . 5.0 m-20 -107.97 14.06 25.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.997 0.427 . . . . 0.0 110.441 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.445 ' HB3' ' HB3' ' B' ' 106' ' ' CYS . 61.4 m -61.33 -173.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.018 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 52.0 m -84.5 125.06 72.62 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.257 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . 0.497 ' O ' ' N ' ' B' ' 17' ' ' LYS . 24.6 Cg_exo -63.01 79.84 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.357 2.038 . . . . 0.0 112.656 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.634 ' HG ' ' HB2' ' B' ' 107' ' ' ALA . 1.8 mp 45.13 -86.68 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.389 0.614 . . . . 0.0 112.112 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' B' ' 15' ' ' PRO . 13.0 mptt -33.26 117.83 0.29 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.383 -1.28 . . . . 0.0 112.172 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 1.583 HD22 ' CD1' ' B' ' 18' ' ' LEU . 0.4 OUTLIER -128.85 -161.84 1.14 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.728 179.245 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 27.9 m -158.66 145.13 17.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.485 ' HA ' HG23 ' B' ' 78' ' ' VAL . 19.8 mp0 -73.18 112.96 9.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.656 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 145.28 -18.99 1.9 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.396 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.9 172.64 6.68 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.648 0.261 . . . . 0.0 110.386 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.542 ' HB2' ' O ' ' B' ' 76' ' ' PHE . 9.3 pt-20 -154.02 -171.61 3.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.088 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 1.604 HD22 ' CD1' ' B' ' 24' ' ' LEU . 9.7 tt -161.52 149.6 15.29 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.061 0.458 . . . . 0.0 111.48 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.473 HG23 ' HG3' ' B' ' 75' ' ' ARG . 91.8 t -136.03 104.96 4.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.508 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 51.1 tp -88.9 147.23 24.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 88.7 m -154.85 114.43 3.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 80.5 mt -115.3 154.12 47.48 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -83.07 125.24 4.03 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.538 2.159 . . . . 0.0 112.628 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 48.4 t -172.44 113.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.808 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -76.46 139.36 67.57 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -79.22 -9.71 15.13 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.625 2.217 . . . . 0.0 112.535 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 66.8 p -79.78 -0.4 34.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 67.4 p -100.3 -57.93 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.38 -43.29 1.23 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.123 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -75.35 100.74 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.807 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.524 ' HB2' ' HG3' ' B' ' 93' ' ' PRO . 14.0 mmm180 -106.26 -160.16 0.73 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.272 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -124.26 129.39 50.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.734 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -116.66 153.73 31.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.208 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.552 HD22 ' HG ' ' B' ' 88' ' ' LEU . 80.0 mt -96.14 97.85 9.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -67.03 -20.68 65.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.415 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.605 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 61.3 t30 -167.59 93.09 0.67 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.483 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.14 -5.8 17.28 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.531 2.154 . . . . 0.0 112.914 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.471 ' HB1' HD21 ' B' ' 48' ' ' LEU . . . 57.84 24.69 11.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.791 0.329 . . . . 0.0 110.711 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.15 -11.56 1.72 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.57 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.3 m -61.14 -33.49 73.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.3 m -126.41 -23.99 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.895 0.378 . . . . 0.0 111.326 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 1.606 HD11 ' CD2' ' B' ' 48' ' ' LEU . 90.4 mt -96.4 145.3 25.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.1 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.428 ' CG ' ' H ' ' B' ' 50' ' ' ARG . 7.4 ttmt -119.73 -161.37 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.165 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.557 ' HD3' ' HB3' ' B' ' 77' ' ' ARG . 9.6 mpt_? . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.629 0.252 . . . . 0.0 111.433 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 58.9 m -65.04 143.6 57.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 68.1 m -136.37 110.45 8.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.07 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -117.07 124.81 50.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.737 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.473 ' HG3' HG23 ' B' ' 25' ' ' VAL . 48.7 ttp180 -137.65 137.15 38.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.302 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.542 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 0.0 OUTLIER -153.28 164.59 37.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.148 179.34 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.557 ' HB3' ' HD3' ' B' ' 50' ' ' ARG . 3.6 tpp180 -136.47 146.19 46.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.982 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 1.603 HG11 ' CG2' ' B' ' 78' ' ' VAL . 60.7 t -80.4 105.99 10.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 110.355 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.63 -59.02 2.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.817 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -126.25 -175.12 3.28 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.239 0.543 . . . . 0.0 111.719 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.734 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 6.4 p -83.43 -168.19 2.0 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.273 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.36 167.72 14.08 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.311 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -107.74 133.27 52.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.123 0.487 . . . . 0.0 111.48 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -161.02 -178.78 7.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.668 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -162.01 116.43 1.89 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.812 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 1.597 HD12 ' CD2' ' B' ' 86' ' ' LEU . 0.3 OUTLIER -62.54 129.61 41.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.45 179.736 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.605 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 26.5 mt-10 -128.42 125.29 38.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.059 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.581 HD12 HD23 ' B' ' 86' ' ' LEU . 4.7 mp -132.33 161.13 34.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.787 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 1.607 ' CG1' HG22 ' B' ' 89' ' ' VAL . 13.4 p -150.16 159.54 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.932 0.396 . . . . 0.0 111.254 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' TYR . . . . . 0.505 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 48.9 t80 -109.85 100.72 9.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.05 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.406 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 39.2 ptt180 -167.52 163.29 14.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.774 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.453 ' HA ' ' HD3' ' B' ' 93' ' ' PRO . 87.4 mtt180 -60.61 134.07 91.7 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.455 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' PRO . . . . . 0.524 ' HG3' ' HB2' ' B' ' 37' ' ' ARG . 2.5 Cg_endo -81.59 27.75 0.57 Allowed 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.259 2.639 . . . . 0.0 114.879 -177.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' TRP . . . . . 0.406 ' CZ3' ' HG2' ' B' ' 95' ' ' GLU . 25.7 p-90 -129.88 -13.05 4.17 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.396 0.617 . . . . 0.0 109.488 178.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . 0.406 ' HG2' ' CZ3' ' B' ' 94' ' ' TRP . 31.4 mt-10 -69.16 163.71 24.25 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.134 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -105.93 -57.87 1.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.623 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -147.06 97.78 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.56 135.56 17.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.69 130.33 90.41 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . 0.406 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 67.6 Cg_endo -85.72 -161.14 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.656 2.237 . . . . 0.0 112.471 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -118.4 -19.93 8.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.505 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 25.4 mt-10 -135.85 -174.42 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.153 0.502 . . . . 0.0 111.494 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.2 p -173.08 154.29 2.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.556 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -157.7 151.38 23.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.773 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 47.9 t -171.86 144.85 1.82 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.852 0.358 . . . . 0.0 111.216 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' CYS . . . . . 0.445 ' HB3' ' HB3' ' B' ' 13' ' ' CYS . 93.5 m -136.3 135.46 38.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.634 ' HB2' ' HG ' ' B' ' 16' ' ' LEU . . . -72.27 129.21 37.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . 0.48 HD11 HD12 ' B' ' 86' ' ' LEU . 3.4 mt -138.18 90.82 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.539 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . 0.528 ' HB3' ' HB3' ' B' ' 16' ' ' LEU . 35.5 tt0 -120.92 99.79 6.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.219 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 1.606 HG13 ' CG2' ' B' ' 110' ' ' VAL . 2.3 t -86.15 161.46 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.012 0.434 . . . . 0.0 111.28 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.696 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 27.2 tpt180 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.729 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.586 ' HA ' HD23 ' B' ' 24' ' ' LEU . 2.5 p . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.705 0.288 . . . . 0.0 111.685 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.687 HG22 ' HA ' ' B' ' 25' ' ' VAL . 90.1 m -154.01 -91.64 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.063 0.459 . . . . 0.0 111.662 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 1.6 HD22 ' CD1' ' B' ' 7' ' ' LEU . 1.3 mm? -100.73 -174.72 2.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.861 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -169.7 -27.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.37 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -136.49 -168.14 2.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.62 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.39 14.73 15.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.373 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -118.27 -10.46 10.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -88.1 8.7 25.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.07 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.533 ' HB3' ' HA ' ' B' ' 106' ' ' CYS . 71.6 m -70.56 134.69 47.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.999 0.428 . . . . 0.0 110.889 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 10.8 p -172.52 158.7 3.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.511 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.82 78.73 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.194 1.929 . . . . 0.0 111.861 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 tp -69.42 117.78 11.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.049 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -76.48 131.19 38.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.768 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 1.599 ' CD2' HD11 ' B' ' 18' ' ' LEU . 31.5 tp 62.71 164.82 0.11 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.852 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.667 HG21 HG23 ' B' ' 78' ' ' VAL . 3.8 t 172.2 -20.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 112.003 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -40.92 114.37 0.47 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.991 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.0 43.39 2.62 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.064 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -143.78 126.89 16.51 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -83.43 -173.43 4.71 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.22 0.533 . . . . 0.0 111.933 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 1.604 HD13 ' CD2' ' B' ' 24' ' ' LEU . 0.5 OUTLIER 73.55 -158.11 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.811 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 1.59 ' CG2' HG11 ' B' ' 25' ' ' VAL . 6.2 p 163.04 -45.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.103 0 C-N-CA 122.964 0.506 . . . . 0.0 110.575 -178.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 1.607 HD12 ' CD2' ' B' ' 26' ' ' LEU . 76.8 mt -151.69 161.44 42.66 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.111 0.482 . . . . 0.0 111.521 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.6 m -156.67 96.62 1.65 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.718 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.9 mt -144.0 152.83 56.04 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.009 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -87.94 153.69 7.19 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.783 2.322 . . . . 0.0 112.287 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 61.4 p -168.63 161.47 11.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -96.79 104.7 19.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . 0.482 ' HA ' ' HD3' ' B' ' 37' ' ' ARG . 72.1 Cg_endo -73.44 151.98 48.53 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.566 2.177 . . . . 0.0 112.501 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 66.7 p 49.87 24.84 1.4 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.592 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 72.5 m -107.66 -38.58 5.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.24 -63.28 0.46 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.404 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -79.09 107.06 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.536 ' HB2' ' HG3' ' B' ' 93' ' ' PRO . 17.4 mmm180 -122.75 -160.93 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.326 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -125.7 123.1 38.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.936 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -101.17 159.35 15.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.749 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.485 HD22 ' HG ' ' B' ' 88' ' ' LEU . 89.0 mt -100.85 104.93 16.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.286 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -80.67 -21.5 41.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.246 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.61 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 8.7 t30 -169.62 84.8 0.61 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.154 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -65.26 -1.75 4.96 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.704 2.269 . . . . 0.0 113.098 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 54.76 24.71 5.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.959 0.409 . . . . 0.0 110.388 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.14 -13.64 2.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.372 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.1 t -61.35 -27.2 68.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.535 ' HA ' ' HB3' ' B' ' 80' ' ' ALA . 29.1 m -131.17 -7.19 2.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.773 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 1.61 HD12 ' CD2' ' B' ' 48' ' ' LEU . 27.0 mt -114.59 137.91 51.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.8 0.333 . . . . 0.0 111.199 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -100.63 144.79 29.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.786 0.327 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.1 p -64.62 103.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.39 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 58.2 m -92.15 97.75 11.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.532 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.496 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 85.1 m95 -99.42 112.36 24.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.015 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' B' ' 24' ' ' LEU . 75.6 mtm180 -134.06 103.94 6.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.8 0.333 . . . . 0.0 111.883 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -107.38 -172.44 2.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.992 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.439 ' HD3' ' O ' ' B' ' 78' ' ' VAL . 2.2 tmt_? -145.17 129.65 17.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.128 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 1.586 HG23 ' CG1' ' B' ' 78' ' ' VAL . 31.1 t -77.77 144.87 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 111.641 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -156.68 6.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.954 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.535 ' HB3' ' HA ' ' B' ' 47' ' ' VAL . . . -136.08 157.99 45.5 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.487 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 7.9 p -98.61 172.94 7.17 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.446 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.11 167.52 20.55 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.562 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . 0.564 ' HB3' HE22 ' B' ' 109' ' ' GLN . 2.3 p30 -85.22 160.98 19.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.834 0.349 . . . . 0.0 111.207 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -171.51 178.18 3.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.815 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -161.73 99.72 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.453 HD13 ' O ' ' B' ' 42' ' ' ASN . 63.8 tp -60.0 141.09 56.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.585 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.61 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 23.5 mt-10 -140.55 133.61 29.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.584 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.574 ' HB2' ' HB3' ' B' ' 104' ' ' PHE . 6.2 mp -138.95 169.75 17.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.372 179.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 1.61 HG11 ' CG2' ' B' ' 89' ' ' VAL . 14.9 p -149.44 157.91 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.018 0.437 . . . . 0.0 111.042 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -103.82 103.34 13.2 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.033 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 39.1 ptt180 -170.89 173.14 5.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.464 ' HA ' ' HD3' ' B' ' 93' ' ' PRO . 97.7 mtt180 -68.99 137.14 89.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.477 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' PRO . . . . . 0.536 ' HG3' ' HB2' ' B' ' 37' ' ' ARG . 2.2 Cg_endo -82.25 27.47 0.59 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.317 2.678 . . . . 0.0 114.986 -177.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' TRP . . . . . 0.411 ' CZ3' ' HG2' ' B' ' 95' ' ' GLU . 25.4 p-90 -129.2 -12.48 4.57 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.343 0.592 . . . . 0.0 109.455 179.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . 0.411 ' HG2' ' CZ3' ' B' ' 94' ' ' TRP . 28.1 mt-10 -70.75 166.7 20.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.091 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -113.46 -41.02 3.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.546 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -167.26 103.12 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.745 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.61 -164.85 1.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.255 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -106.08 93.76 8.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.782 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . 0.539 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 50.3 Cg_endo -69.39 168.52 20.83 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.576 2.184 . . . . 0.0 112.33 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.58 -75.03 0.49 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -90.46 -177.35 5.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.388 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' SER . . . . . 0.481 ' HA ' ' HA ' ' B' ' 89' ' ' VAL . 49.1 m -161.6 -179.63 7.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.576 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.574 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 25.7 t80 -159.81 149.18 17.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 47.9 t -164.03 107.54 0.96 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.152 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' CYS . . . . . 0.533 ' HA ' ' HB3' ' B' ' 13' ' ' CYS . 0.1 OUTLIER -116.32 132.57 56.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.029 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.82 146.97 24.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.468 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 71.9 mt -146.29 145.07 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . 0.564 HE22 ' HB3' ' B' ' 83' ' ' ASP . 5.7 tp-100 -144.95 102.43 3.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.642 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 1.58 HG21 ' CG1' ' B' ' 110' ' ' VAL . 3.5 t -68.66 -65.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.787 0.327 . . . . 0.0 111.012 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.014 -179.558 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 1.608 HG21 ' CG1' ' B' ' 5' ' ' VAL . 6.7 t . . . . . 0 CA--C 1.527 0.087 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -69.52 161.98 28.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.878 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -162.19 113.41 1.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.183 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -109.3 -15.0 14.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -79.23 -159.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.57 -70.42 0.44 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.402 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -90.76 -8.85 48.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.178 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.7 -9.94 48.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.07 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.488 ' C ' ' HD3' ' B' ' 15' ' ' PRO . 0.7 OUTLIER -62.78 -96.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.242 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.537 ' N ' ' HD3' ' B' ' 15' ' ' PRO . 80.6 p 41.76 47.04 2.12 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.878 -178.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . 0.6 ' HD2' ' HB3' ' B' ' 107' ' ' ALA . 92.3 Cg_endo -89.13 -35.01 0.09 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 122.026 1.817 . . . . 0.0 113.072 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.672 ' HG ' ' HB2' ' B' ' 107' ' ' ALA . 4.4 mp 58.77 -89.38 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.542 0.687 . . . . 0.0 110.913 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -38.5 107.27 0.06 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.297 -1.319 . . . . 0.0 111.51 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 1.606 ' CD2' HD13 ' B' ' 18' ' ' LEU . 16.5 tp -142.65 172.7 12.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.409 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.53 HG21 HH12 ' B' ' 111' ' ' ARG . 24.3 m -154.32 145.76 23.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.933 0.397 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.463 ' HG3' HG23 ' B' ' 78' ' ' VAL . 18.7 mp0 -53.27 143.41 18.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.959 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.425 ' HA3' ' NH2' ' B' ' 77' ' ' ARG . . . 117.44 -10.86 14.42 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.427 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -111.8 152.93 27.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.92 0.39 . . . . 0.0 110.643 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -127.99 -167.79 1.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.912 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 1.6 HD12 ' CD2' ' B' ' 24' ' ' LEU . 8.9 tt -166.21 150.1 7.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.033 0.444 . . . . 0.0 111.413 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.543 HG23 ' HG2' ' B' ' 75' ' ' ARG . 65.3 t -138.47 107.64 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.819 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 1.6 HD23 ' CD1' ' B' ' 26' ' ' LEU . 94.6 mt -77.91 158.58 29.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 59.2 m -153.88 102.88 2.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 82.0 mt -132.2 138.14 31.63 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.56 150.05 88.88 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.623 2.215 . . . . 0.0 112.282 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 88.5 p -164.65 132.91 3.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.694 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -108.06 104.02 52.1 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.019 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . 0.495 ' HB3' HH12 ' B' ' 37' ' ' ARG . 35.6 Cg_exo -57.92 -22.0 52.25 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.49 2.127 . . . . 0.0 112.302 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 77.8 p -63.02 -41.91 99.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.249 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 77.9 p -71.78 -63.77 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.242 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.7 -13.13 4.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.253 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -75.82 91.09 2.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.127 0.489 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.495 HH12 ' HB3' ' B' ' 32' ' ' PRO . 3.9 tpt180 -90.96 -146.93 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.248 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -137.2 137.92 39.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.859 0.362 . . . . 0.0 110.937 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.457 ' HG2' HH21 ' B' ' 91' ' ' ARG . 8.9 tp10 -117.88 137.98 52.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 95.7 mt -89.97 108.78 19.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.514 ' NE ' ' HA ' ' B' ' 41' ' ' ARG . 4.0 mmp_? -82.57 -17.13 45.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.512 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.555 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 59.8 t30 -174.58 86.12 0.33 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.659 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.87 0.93 6.38 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.587 2.192 . . . . 0.0 112.631 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.71 22.25 6.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.873 0.368 . . . . 0.0 110.929 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.85 -8.08 2.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.369 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -64.57 -34.41 78.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.25 -36.86 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.722 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 1.591 HD13 ' CD2' ' B' ' 48' ' ' LEU . 13.7 mt -86.89 133.46 33.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.8 0.333 . . . . 0.0 110.817 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -87.96 137.05 32.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.981 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.8 0.334 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 54.9 m -121.1 109.14 14.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 58.1 m -114.04 129.6 56.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.423 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 80.5 m95 -125.2 146.59 49.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.543 ' HG2' HG23 ' B' ' 25' ' ' VAL . 93.6 mtt180 -137.18 135.81 37.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.703 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.76 153.96 49.65 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.967 0.413 . . . . 0.0 111.431 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.425 ' NH2' ' HA3' ' B' ' 21' ' ' GLY . 9.9 tpt180 -140.37 136.75 33.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.647 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 1.606 HG21 ' CG1' ' B' ' 78' ' ' VAL . 28.5 t -86.21 113.16 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.848 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -111.16 -53.51 2.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.93 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.6 155.75 20.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.912 0.387 . . . . 0.0 111.419 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.435 ' HA ' ' CB ' ' B' ' 110' ' ' VAL . 27.2 p -77.79 -176.85 4.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.35 160.76 11.27 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.579 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -89.29 145.24 25.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.702 0.287 . . . . 0.0 110.8 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -169.42 -174.27 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -167.02 109.62 0.69 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.697 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.462 ' HA ' ' O ' ' B' ' 42' ' ' ASN . 62.0 tp -63.47 146.76 52.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.904 0.383 . . . . 0.0 110.812 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.555 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 3.4 mt-10 -145.07 135.13 23.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.496 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.413 ' HB2' ' HB3' ' B' ' 104' ' ' PHE . 5.4 mp -144.95 118.47 9.1 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 179.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 22.1 m -109.03 157.32 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.759 0.314 . . . . 0.0 110.935 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' TYR . . . . . 0.567 ' HB2' ' HB2' ' B' ' 102' ' ' GLU . 6.9 t80 -95.45 108.45 20.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.347 -179.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.457 HH21 ' HG2' ' B' ' 39' ' ' GLU . 36.6 ptt180 -173.56 172.69 3.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.337 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.573 ' H ' ' HB2' ' B' ' 96' ' ' LYS . 94.7 mtt180 -54.82 155.3 8.19 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.806 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' PRO . . . . . 0.402 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 80.6 Cg_exo -47.32 -28.05 7.7 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.941 2.428 . . . . 0.0 113.443 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' TRP . . . . . 0.41 ' O ' ' HB3' ' B' ' 95' ' ' GLU . 23.0 p90 -108.45 -57.14 2.17 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.782 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' B' ' 95' ' ' GLU . 10.3 pt-20 178.44 123.19 0.05 OUTLIER 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.992 0.425 . . . . 0.0 111.407 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . 0.573 ' HB2' ' H ' ' B' ' 92' ' ' ARG . 12.5 tmtt? -103.29 91.26 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 60.09 14.3 4.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.833 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 57.01 17.02 3.14 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.414 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -124.1 96.68 41.84 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.658 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -77.79 145.54 22.86 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.974 2.45 . . . . 0.0 112.542 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.86 -66.46 0.84 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.808 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.567 ' HB2' ' HB2' ' B' ' 90' ' ' TYR . 20.9 mt-10 -85.17 -172.52 4.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.763 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 78.8 p -166.37 152.48 8.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.954 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.413 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 39.8 t80 -143.76 143.28 31.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 47.3 t -160.5 102.35 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 10.2 t -109.08 117.61 34.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.672 ' HB2' ' HG ' ' B' ' 16' ' ' LEU . . . -64.16 133.42 52.89 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . 0.509 HG22 HD23 ' B' ' 48' ' ' LEU . 59.5 mt -146.0 111.97 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.997 0.427 . . . . 0.0 111.656 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -139.85 104.56 4.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.315 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 1.58 HG23 ' CG1' ' B' ' 110' ' ' VAL . 20.4 t -63.25 -82.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.175 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.53 HH12 HG21 ' B' ' 19' ' ' THR . 6.7 mpt_? . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.314 -0.85 . . . . 0.0 110.971 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 1.608 HG23 ' CG1' ' B' ' 5' ' ' VAL . 21.5 t . . . . . 0 C--O 1.233 0.209 0 CA-C-O 121.007 0.432 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.3 m -100.09 164.04 12.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.125 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 83.4 mt -138.27 145.88 41.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -138.21 -9.54 1.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -130.91 146.96 52.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.062 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.76 -43.83 24.69 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.055 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.6 -24.24 67.02 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.775 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -70.06 -19.8 63.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 60.7 m -69.19 155.72 39.92 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.051 0.453 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.468 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 14.3 m -153.55 159.27 32.32 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.355 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 13.8 Cg_endo -56.67 89.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.177 1.918 . . . . 0.0 111.628 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 22.6 tp -41.2 99.62 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.302 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.488 ' HD3' ' H ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -76.14 98.86 4.5 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.283 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 1.596 HD22 ' CD1' ' B' ' 18' ' ' LEU . 27.7 tp 63.23 162.69 0.1 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.663 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.491 HG22 HG13 ' B' ' 78' ' ' VAL . 0.0 OUTLIER -174.53 -89.23 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.62 -179.789 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.413 ' H ' HG23 ' B' ' 78' ' ' VAL . 58.6 mt-30 47.81 88.99 0.02 OUTLIER 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.096 0.474 . . . . 0.0 111.065 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.08 2.35 18.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.073 -0.584 . . . . 0.0 111.946 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . 0.401 HE21 ' HB3' ' B' ' 22' ' ' GLN . 4.8 mt-30 -104.5 133.57 49.14 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.793 0.33 . . . . 0.0 110.464 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.454 ' HG2' HH11 ' B' ' 77' ' ' ARG . 0.0 OUTLIER -98.6 -177.99 3.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.476 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 39.0 tp -162.26 112.57 1.53 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.716 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 54.2 t -110.74 95.59 3.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 1.608 HD11 ' CD2' ' B' ' 26' ' ' LEU . 94.3 mt -73.27 156.04 38.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.049 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 68.7 m -154.07 110.28 3.28 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 80.7 mt -132.37 137.08 29.14 Favored Pre-proline 0 C--O 1.234 0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -62.83 122.81 11.26 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.582 2.188 . . . . 0.0 112.344 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 45.9 t -169.19 117.34 0.64 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.759 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -84.09 123.41 75.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -74.36 -1.33 10.85 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.49 2.126 . . . . 0.0 112.413 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 71.0 p -88.83 -7.6 55.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.229 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 69.1 p -90.39 -58.7 2.4 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.0 -42.85 1.07 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.286 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -71.92 100.67 2.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.074 0.464 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.401 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 17.9 mmm180 -100.65 -160.87 0.82 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.993 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.401 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 96.8 m95 -115.6 106.08 13.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.971 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -87.57 140.64 29.32 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.507 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 97.2 mt -90.08 100.59 13.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.333 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.44 ' HB2' ' HB3' ' B' ' 87' ' ' GLU . 14.2 mmm180 -72.54 -25.12 61.26 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.188 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.476 ' HB3' ' HB2' ' B' ' 87' ' ' GLU . 63.5 t30 -172.73 89.95 0.4 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.465 ' HG3' HH21 ' B' ' 50' ' ' ARG . 56.2 Cg_endo -69.16 8.2 0.68 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.647 2.231 . . . . 0.0 112.79 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.412 ' HA ' ' OD1' ' B' ' 84' ' ' ASP . . . 54.41 23.69 4.65 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.848 0.356 . . . . 0.0 110.787 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.67 -14.68 3.46 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.423 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 83.1 p -60.54 -29.63 69.26 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.2 m -123.39 -31.16 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.505 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 1.584 HD21 ' CD1' ' B' ' 48' ' ' LEU . 12.2 mt -92.58 168.91 10.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.68 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -131.03 148.57 52.76 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.465 HH21 ' HG3' ' B' ' 43' ' ' PRO . 99.0 mtt180 . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.817 0.342 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 46.6 t -69.66 114.51 7.93 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 74.4 m -114.57 118.53 33.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.974 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.458 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 84.2 m95 -108.91 115.74 30.67 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.813 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -106.71 126.0 51.73 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -133.28 157.04 46.46 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.11 0.481 . . . . 0.0 111.138 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.454 HH11 ' HG2' ' B' ' 23' ' ' GLU . 9.9 tpt180 -145.23 124.78 13.19 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.318 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 1.588 HG21 ' CG1' ' B' ' 78' ' ' VAL . 61.3 t -66.36 143.85 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.196 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -131.21 -36.53 1.3 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.374 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -141.61 156.69 45.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.936 0.398 . . . . 0.0 111.381 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.418 ' HB2' ' HB2' ' B' ' 111' ' ' ARG . 43.0 p -72.97 -167.31 0.37 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.061 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 121.42 160.72 11.12 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.426 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -102.46 116.46 32.67 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.412 ' OD1' ' HA ' ' B' ' 44' ' ' ALA . 3.7 t70 -143.94 -170.27 3.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.445 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -155.87 116.92 3.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.095 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 1.594 HD13 ' CD2' ' B' ' 86' ' ' LEU . 4.1 mt -65.18 141.22 58.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.438 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.476 ' HB2' ' HB3' ' B' ' 42' ' ' ASN . 45.2 mm-40 -140.52 111.67 7.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.47 HD12 HD11 ' B' ' 86' ' ' LEU . 5.3 mp -127.44 122.49 33.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.348 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 1.605 ' CG2' HG12 ' B' ' 89' ' ' VAL . 14.8 p -111.23 158.2 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.176 0.512 . . . . 0.0 111.207 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' TYR . . . . . 0.484 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 72.5 t80 -108.4 100.74 9.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.688 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.417 ' HB3' ' HA ' ' B' ' 100' ' ' PRO . 33.5 ptt180 -164.52 -169.34 1.73 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.052 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.426 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 97.7 mtt180 -79.55 111.49 21.41 Favored Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.586 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.8 -13.15 19.9 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.673 2.249 . . . . 0.0 113.623 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' TRP . . . . . 0.426 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 7.9 p90 -82.03 7.45 13.23 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.197 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -114.31 162.28 16.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.784 0.326 . . . . 0.0 110.977 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -84.9 -38.96 18.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.689 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -167.33 107.67 0.6 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.859 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.82 178.9 6.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.441 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 40.8 mt-10 -75.74 115.68 48.28 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.092 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 99' ' ' GLU . 6.1 Cg_exo -79.31 159.85 26.14 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.989 2.46 . . . . 0.0 112.387 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -98.81 -68.34 0.81 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.3 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.484 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 5.5 mm-40 -100.79 -162.3 0.93 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.326 0.584 . . . . 0.0 111.805 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' SER . . . . . 0.447 ' H ' ' HB3' ' B' ' 102' ' ' GLU . 80.3 p -168.87 157.06 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.799 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -163.41 103.5 0.95 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.682 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 28.7 m -122.34 152.28 40.3 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.096 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 63.6 m -144.98 140.29 28.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.586 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.24 148.48 27.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.448 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . 0.458 HD12 HD22 ' B' ' 48' ' ' LEU . 74.4 mt -143.19 125.93 12.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.915 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -144.58 86.54 1.82 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.771 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 1.61 ' CG2' HG12 ' B' ' 110' ' ' VAL . 17.9 t -72.02 -55.56 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.128 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.418 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 36.0 mmt180 . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.906 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 1.606 ' CG1' HG22 ' B' ' 5' ' ' VAL . 58.7 t . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 120.875 0.369 . . . . 0.0 111.294 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.411 HG21 HG11 ' B' ' 25' ' ' VAL . 2.8 m -85.67 163.26 18.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.844 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 1.593 ' CD2' HD11 ' B' ' 7' ' ' LEU . 60.9 tp -150.56 142.92 24.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.852 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -143.64 0.77 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -116.65 177.56 4.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.22 -19.8 1.46 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.149 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -88.97 -26.18 21.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.776 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -81.74 2.97 27.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 18.9 m -77.03 144.95 38.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.055 0.455 . . . . 0.0 111.39 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.436 ' O ' ' N ' ' B' ' 16' ' ' LEU . 20.0 m -158.6 160.68 29.32 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.169 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.95 83.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.316 2.011 . . . . 0.0 111.908 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 1.604 ' CD2' HD13 ' B' ' 16' ' ' LEU . 10.9 mt -66.58 172.4 4.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.802 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.527 ' HD2' ' N ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -121.33 72.47 1.0 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.61 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mp -73.68 -172.24 1.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.226 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 27.2 m -156.76 151.22 25.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.519 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.554 HE21 ' HA ' ' B' ' 80' ' ' ALA . 83.9 mt-30 -56.3 97.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.416 ' HA3' HH21 ' B' ' 77' ' ' ARG . . . 139.42 2.44 1.77 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.638 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . 0.407 HE21 ' HB3' ' B' ' 22' ' ' GLN . 8.7 mt-30 -104.75 135.47 46.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.786 0.327 . . . . 0.0 110.703 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.64 -175.68 3.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.361 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 1.6 HD13 ' CD2' ' B' ' 24' ' ' LEU . 4.9 tt -157.13 118.09 3.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.903 0.382 . . . . 0.0 110.795 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 1.586 ' CG2' HG12 ' B' ' 25' ' ' VAL . 19.9 m -106.3 148.76 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.221 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -153.5 147.24 25.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.2 m -151.73 132.91 14.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.232 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -133.38 161.47 63.56 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.961 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -82.48 125.22 4.37 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.531 2.154 . . . . 0.0 112.441 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 80.6 p -164.28 168.48 18.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.803 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -131.45 122.3 18.84 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.22 -0.82 10.11 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.426 2.084 . . . . 0.0 112.453 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 56.4 m -90.32 -33.35 16.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.066 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 69.6 p -66.23 -63.55 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.207 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.47 -28.57 2.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.384 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -81.02 98.76 8.11 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 111.047 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.443 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 18.1 mmm180 -101.05 -157.49 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.443 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 88.3 m95 -127.15 136.56 52.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.732 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -117.32 154.86 30.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.956 0.407 . . . . 0.0 111.24 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.53 HD21 ' HG ' ' B' ' 88' ' ' LEU . 15.8 mt -102.87 98.74 8.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.201 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.442 HH11 HH22 ' B' ' 91' ' ' ARG . 31.9 mmm180 -72.53 -21.99 61.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.596 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.6 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 62.3 t30 -163.37 85.48 1.33 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.59 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.451 ' HB3' HD12 ' B' ' 40' ' ' LEU . 96.8 Cg_endo -77.9 32.24 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.82 2.346 . . . . 0.0 112.588 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.53 ' HB2' HD11 ' B' ' 48' ' ' LEU . . . 57.42 24.66 10.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.859 0.361 . . . . 0.0 110.971 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.72 -11.8 2.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.174 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -62.57 -47.75 82.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.969 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.622 HG22 HD13 ' B' ' 48' ' ' LEU . 8.3 m -128.34 -36.47 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.281 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.634 ' HG ' HG11 ' B' ' 78' ' ' VAL . 10.7 mp -71.78 -176.34 1.63 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.863 0.364 . . . . 0.0 110.551 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -142.97 150.14 39.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.857 0.361 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 50.7 m -98.42 114.39 26.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 74.3 m -121.5 101.8 7.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -90.38 134.52 34.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.193 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -132.36 121.41 23.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.708 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -123.28 167.31 13.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.097 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.416 HH21 ' HA3' ' B' ' 21' ' ' GLY . 8.7 tpt180 -150.38 123.31 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.523 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 1.602 HG21 ' CG1' ' B' ' 78' ' ' VAL . 38.5 t -65.58 151.94 9.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.04 -3.82 0.75 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.554 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -160.97 156.34 24.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 111.608 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.595 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 20.5 p -82.45 167.91 17.98 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.752 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.64 176.3 14.41 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.402 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -93.85 123.98 37.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.773 0.321 . . . . 0.0 111.042 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -139.5 -178.99 5.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.471 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -165.58 126.56 1.9 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.895 0.378 . . . . 0.0 111.229 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 1.574 HD11 ' CD2' ' B' ' 86' ' ' LEU . 1.8 mm? -75.73 113.04 12.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.754 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.6 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 27.4 mt-10 -111.13 113.3 25.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.007 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.53 ' HG ' HD21 ' B' ' 40' ' ' LEU . 6.1 mp -125.13 147.54 48.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.689 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 30.6 m -135.42 161.34 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.054 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' TYR . . . . . 0.462 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 17.3 t80 -102.82 101.71 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.205 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.442 HH22 HH11 ' B' ' 41' ' ' ARG . 39.4 ptt180 -160.97 167.14 27.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.605 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.409 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 77.1 mtt180 -57.44 145.66 67.19 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.489 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' PRO . . . . . 0.436 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 83.3 Cg_endo -77.96 -26.8 6.31 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.69 2.26 . . . . 0.0 113.838 -178.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' TRP . . . . . 0.409 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 19.1 p90 -90.14 7.74 36.41 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.582 -179.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -109.14 114.26 27.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.944 0.402 . . . . 0.0 110.824 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . 0.616 ' HZ3' ' HB3' ' B' ' 96' ' ' LYS . 3.0 mmmp? -80.27 -16.39 54.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -148.7 94.66 2.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.96 135.26 15.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.893 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -60.62 112.96 6.41 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -78.68 151.52 25.13 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.588 2.192 . . . . 0.0 112.605 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . 0.422 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -79.85 -65.63 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.786 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.462 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 19.0 mt-10 -85.9 -172.54 4.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.768 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.0 p -164.21 155.27 15.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.467 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 60.0 t80 -147.91 146.87 29.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.076 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 46.8 t -163.58 113.19 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.616 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 6.2 t -121.33 118.08 28.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.098 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.82 135.29 53.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . 0.541 HD13 HD11 ' B' ' 86' ' ' LEU . 86.6 mt -144.31 114.4 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.511 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' B' ' 17' ' ' LYS . 25.5 mt-30 -118.87 112.62 19.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.57 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 1.605 HG11 ' CG2' ' B' ' 110' ' ' VAL . 39.5 t -65.57 -86.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.905 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.477 ' HB3' ' HB2' ' B' ' 81' ' ' SER . 25.2 tpt180 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.76 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 121.039 0.447 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.3 m -72.07 163.1 28.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.566 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 1.599 ' CD2' HD13 ' B' ' 7' ' ' LEU . 61.1 tp -150.78 144.77 25.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.657 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -143.42 -45.49 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.01 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -62.95 170.84 2.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.995 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.98 -45.58 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -74.0 -25.59 59.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -78.83 -2.48 39.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.458 ' SG ' HD12 ' B' ' 7' ' ' LEU . 75.3 m -74.28 -87.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.522 ' O ' ' N ' ' B' ' 16' ' ' LEU . 50.6 m 64.47 165.04 0.12 Allowed Pre-proline 0 C--N 1.333 -0.134 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 51.7 Cg_exo -53.1 78.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.393 2.062 . . . . 0.0 112.148 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' B' ' 14' ' ' SER . 54.4 tp -74.63 129.36 37.59 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.221 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -83.22 108.75 16.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.851 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 1.603 ' CD2' HD13 ' B' ' 18' ' ' LEU . 10.9 mp -99.8 -175.51 2.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.5 m -159.89 149.92 18.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.63 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.643 HE21 ' HA ' ' B' ' 80' ' ' ALA . 91.1 mt-30 -55.79 104.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 134.91 5.89 2.36 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.481 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -110.6 132.03 54.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.835 0.35 . . . . 0.0 110.72 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -109.9 171.03 7.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.091 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 1.605 HD12 ' CD2' ' B' ' 24' ' ' LEU . 8.0 tt -161.61 144.23 12.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.989 0.423 . . . . 0.0 111.599 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 1.603 ' CG1' HG21 ' B' ' 25' ' ' VAL . 93.9 t -136.52 108.1 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.46 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.438 HD22 HD22 ' B' ' 28' ' ' LEU . 37.6 tp -78.31 146.65 34.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.363 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.6 m -106.05 109.44 21.38 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.942 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.654 ' N ' ' HD2' ' B' ' 29' ' ' PRO . 3.1 mm? -106.65 -19.38 0.17 Allowed Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.654 ' HD2' ' N ' ' B' ' 28' ' ' LEU . 42.7 Cg_exo -32.05 104.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 122.475 2.117 . . . . 0.0 113.127 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.8 t -113.68 -74.48 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.886 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . 0.512 HD21 HG22 ' B' ' 34' ' ' THR . 2.1 p-10 -168.96 87.67 0.63 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . 0.441 ' O ' HG21 ' B' ' 34' ' ' THR . 23.6 Cg_exo -64.24 -172.68 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.597 2.198 . . . . 0.0 112.34 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 37.8 p 53.94 21.3 2.77 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.652 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.512 HG22 HD21 ' B' ' 31' ' ' ASN . 61.1 p -115.86 -61.82 1.68 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.929 0.395 . . . . 0.0 111.066 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.05 -37.3 1.34 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.395 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -87.43 105.2 17.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.952 0.406 . . . . 0.0 111.16 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -115.09 -167.53 1.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.921 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.401 ' CZ3' ' HB2' ' B' ' 90' ' ' TYR . 92.6 m95 -110.06 101.5 10.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.997 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -81.66 135.9 35.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.647 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 tt -87.6 111.23 21.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.893 0.378 . . . . 0.0 110.77 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -79.5 -62.04 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.146 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.414 ' HB3' ' HB2' ' B' ' 87' ' ' GLU . 57.4 t30 -125.58 102.53 29.27 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.995 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -80.21 4.06 7.12 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.554 2.169 . . . . 0.0 112.854 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.428 ' HB1' HD21 ' B' ' 48' ' ' LEU . . . 54.64 27.37 8.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.59 -11.85 2.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.564 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.7 t -61.22 -30.11 70.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.291 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 26.4 m -131.91 -15.36 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.681 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 1.607 HD11 ' CD2' ' B' ' 48' ' ' LEU . 78.8 mt -106.84 142.53 36.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 0.0 111.319 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.42 ' CG ' ' H ' ' B' ' 50' ' ' ARG . 0.3 OUTLIER -125.35 -150.45 0.45 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.167 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.42 ' H ' ' CG ' ' B' ' 49' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.941 0.401 . . . . 0.0 111.02 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.426 ' HG2' ' HB3' ' B' ' 29' ' ' PRO . 2.3 mp0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.905 0.383 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 70.0 m -128.49 131.74 48.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.59 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 62.5 m -138.8 136.91 36.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.283 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -129.04 127.29 41.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.829 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -123.69 140.63 52.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.772 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.403 ' HA ' ' O ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -150.8 171.81 16.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.95 0.405 . . . . 0.0 110.942 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.493 ' HD2' ' N ' ' B' ' 78' ' ' VAL . 3.4 tmm_? -154.87 135.96 13.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.349 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 1.609 HG23 ' CG1' ' B' ' 78' ' ' VAL . 46.6 t -55.95 111.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.245 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.69 -23.03 12.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.414 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.643 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -160.88 155.82 24.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.168 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.511 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 55.4 p -64.13 -175.57 0.16 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.019 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.62 159.91 11.28 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.606 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -105.87 126.13 51.81 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.724 0.297 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -144.79 -171.4 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . 0.431 ' HG3' ' HA ' ' B' ' 107' ' ' ALA . 79.3 ttt180 -162.19 126.31 3.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.952 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 1.607 HD11 ' CD2' ' B' ' 86' ' ' LEU . 14.0 mt -72.62 143.03 48.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 110.875 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.414 ' HB2' ' HB3' ' B' ' 42' ' ' ASN . 69.1 mm-40 -139.0 111.42 7.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.3 mp -127.48 122.18 32.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 110.737 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 1.595 HG21 ' CG1' ' B' ' 89' ' ' VAL . 11.3 p -104.86 160.37 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.175 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' TYR . . . . . 0.401 ' HB2' ' CZ3' ' B' ' 38' ' ' TRP . 58.5 t80 -108.68 104.53 13.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.084 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.541 ' HD3' ' HB3' ' B' ' 100' ' ' PRO . 38.1 ptt180 -175.69 159.55 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.665 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.526 ' HB3' ' NE1' ' B' ' 94' ' ' TRP . 91.3 mtt180 -51.78 108.87 1.17 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.085 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -79.15 35.4 0.56 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.784 2.323 . . . . 0.0 114.603 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' TRP . . . . . 0.526 ' NE1' ' HB3' ' B' ' 92' ' ' ARG . 25.9 p-90 -131.55 -11.41 3.52 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . 0.453 ' HG2' ' CZ3' ' B' ' 94' ' ' TRP . 32.5 mt-10 -72.13 -173.05 0.98 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.094 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -110.02 -41.11 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.502 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -172.66 93.31 0.12 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.654 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -126.56 165.82 18.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.108 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -81.11 116.85 65.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . 0.541 ' HB3' ' HD3' ' B' ' 91' ' ' ARG . 94.7 Cg_endo -78.39 170.25 18.76 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.66 2.24 . . . . 0.0 112.497 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.45 -54.79 2.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.963 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -107.12 -176.53 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.087 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 37.1 m -161.78 172.76 15.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.754 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -165.67 145.65 6.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.691 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 93.0 p -170.43 137.87 1.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.103 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' B' ' 13' ' ' CYS . 96.9 m -145.65 136.56 24.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.035 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.431 ' HA ' ' HG3' ' B' ' 85' ' ' ARG . . . -73.03 139.33 46.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.269 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . 0.558 HD11 ' HG ' ' B' ' 86' ' ' LEU . 83.0 mt -142.94 112.82 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -133.08 124.82 28.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.586 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 1.6 HG23 ' CG1' ' B' ' 110' ' ' VAL . 43.6 t -66.01 -85.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.144 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.829 179.882 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.456 ' O ' HG12 ' B' ' 5' ' ' VAL . 7.7 p . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 121.267 0.556 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.509 HG21 HG12 ' B' ' 25' ' ' VAL . 1.9 m -66.07 162.04 20.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.095 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 1.599 ' CD1' HD23 ' B' ' 7' ' ' LEU . 63.8 tp -134.96 146.46 49.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.973 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -157.38 11.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.757 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -125.26 -175.28 3.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.702 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.73 6.68 9.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -122.82 -28.57 4.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -84.23 13.31 5.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.461 ' HB3' ' HB3' ' B' ' 106' ' ' CYS . 10.9 m -76.68 0.53 20.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.044 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.537 ' O ' ' HA ' ' B' ' 108' ' ' ILE . 50.6 m 65.62 68.33 0.69 Allowed Pre-proline 0 N--CA 1.453 -0.305 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . 0.443 ' HA ' ' C ' ' B' ' 107' ' ' ALA . 50.2 Cg_endo -69.48 32.44 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.059 2.506 . . . . 0.0 112.805 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.552 ' HA ' ' HB2' ' B' ' 109' ' ' GLN . 2.8 pp -174.38 -154.02 0.05 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' B' ' 109' ' ' GLN . 11.4 mtpp -33.43 104.75 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.805 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 1.592 HD22 ' CD1' ' B' ' 18' ' ' LEU . 13.6 tp -104.07 176.86 5.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.783 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.4 ' H ' ' HG ' ' B' ' 18' ' ' LEU . 71.8 p -119.6 112.98 20.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.943 0.401 . . . . 0.0 111.643 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.438 ' HA ' ' HB ' ' B' ' 78' ' ' VAL . 59.6 mt-30 -58.13 124.26 18.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.555 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.73 -13.94 9.22 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.217 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -83.69 132.84 34.84 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.345 0.593 . . . . 0.0 110.753 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -98.31 169.29 9.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.204 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 1.609 ' CD1' HD21 ' B' ' 24' ' ' LEU . 8.3 tt -158.82 152.42 23.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.114 0.483 . . . . 0.0 111.851 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 1.601 ' CG1' HG22 ' B' ' 25' ' ' VAL . 3.2 m -143.42 145.49 22.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.647 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 60.0 tp -141.4 137.81 32.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.933 0.397 . . . . 0.0 111.011 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 86.6 m -132.36 126.89 34.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.991 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 85.6 mt -134.85 149.68 71.26 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.734 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -73.06 145.93 40.47 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.505 2.137 . . . . 0.0 112.139 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 85.2 p -154.39 -24.35 0.13 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 61.58 103.32 0.03 OUTLIER Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.704 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . 0.425 ' HA ' ' NH2' ' B' ' 37' ' ' ARG . 52.1 Cg_exo -53.06 145.06 43.77 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.436 2.091 . . . . 0.0 112.514 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 33.8 m 56.98 81.29 0.14 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.387 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 26.1 p -147.11 -61.22 0.28 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.129 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.12 -46.76 0.63 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.159 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . 0.413 ' CD2' ' HA ' ' B' ' 91' ' ' ARG . 6.6 m-85 -94.89 106.82 18.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.467 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 23.5 mmt180 -104.93 -158.32 0.66 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.928 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.467 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 86.1 m95 -122.41 109.83 14.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.445 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -92.13 122.88 35.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.071 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.21 100.01 12.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.437 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.408 ' HA ' ' NE ' ' B' ' 41' ' ' ARG . 4.3 mmp_? -69.94 -63.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.211 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.553 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 50.4 t-20 -111.98 97.22 37.39 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.023 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -78.46 -0.48 10.75 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.507 2.138 . . . . 0.0 112.444 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.03 22.33 5.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.1 -8.9 3.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.223 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.0 t -69.3 -29.74 67.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.429 HG22 ' HG ' ' B' ' 48' ' ' LEU . 35.1 m -130.85 -43.53 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.526 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 1.604 HD13 ' CD2' ' B' ' 48' ' ' LEU . 18.2 mt -84.86 114.8 22.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.579 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -73.99 137.03 43.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.277 -179.616 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.872 0.367 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 80.5 p -73.11 125.42 27.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.715 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 56.7 m -128.31 142.15 51.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 16.6 m-90 -125.76 154.24 42.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.785 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -150.16 131.74 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.472 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -138.54 164.91 28.23 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.114 0.483 . . . . 0.0 111.722 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -147.54 128.2 14.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.325 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 1.604 HG21 ' CG1' ' B' ' 78' ' ' VAL . 6.5 t -78.74 120.34 29.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.481 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.56 -43.61 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.45 177.82 7.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.096 0.475 . . . . 0.0 111.76 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.696 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 10.3 p -82.76 -168.88 2.21 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.006 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 117.4 154.94 10.04 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.363 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.94 120.65 30.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -139.43 172.29 13.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -160.06 104.5 1.51 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.414 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.446 ' HG ' HD13 ' B' ' 88' ' ' LEU . 8.1 tp -61.12 136.72 58.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.684 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.553 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 16.6 mt-10 -136.57 120.46 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.203 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.446 HD13 ' HG ' ' B' ' 86' ' ' LEU . 4.5 mp -135.78 151.92 50.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.659 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 23.7 m -143.55 166.45 13.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.098 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' TYR . . . . . 0.58 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 56.6 t80 -117.36 102.48 9.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.42 ' HB3' ' HA ' ' B' ' 100' ' ' PRO . 38.1 ptt180 -166.57 177.98 6.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.726 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.484 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 72.3 mtt180 -53.85 121.55 29.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.407 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' PRO . . . . . 0.466 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 73.5 Cg_endo -72.78 5.94 2.68 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.65 2.233 . . . . 0.0 113.588 -178.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' TRP . . . . . 0.484 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 18.5 p90 -114.19 12.97 17.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.917 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -110.14 155.73 21.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.026 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -94.96 -53.92 3.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.567 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -140.0 101.14 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -133.11 -170.86 2.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -104.03 97.26 10.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . 0.42 ' HA ' ' HB3' ' B' ' 91' ' ' ARG . 59.6 Cg_endo -72.37 136.77 27.02 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.414 2.076 . . . . 0.0 112.525 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.0 -44.74 95.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.046 0.451 . . . . 0.0 110.986 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.58 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 17.9 mt-10 -109.24 -173.04 2.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.595 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.0 p -173.14 154.07 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.717 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -155.51 110.34 2.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 91.9 p -120.59 148.55 43.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' CYS . . . . . 0.461 ' HB3' ' HB3' ' B' ' 13' ' ' CYS . 53.3 m -151.81 133.08 14.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.124 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.486 ' O ' HG13 ' B' ' 108' ' ' ILE . . . -98.73 151.44 20.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . 0.537 ' HA ' ' O ' ' B' ' 14' ' ' SER . 96.3 mt -157.86 111.68 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.494 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . 0.552 ' HB2' ' HA ' ' B' ' 16' ' ' LEU . 21.9 mt-30 -112.96 103.8 11.77 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 1.609 HG23 ' CG1' ' B' ' 110' ' ' VAL . 3.3 t -90.49 148.36 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.082 0.467 . . . . 0.0 111.486 -179.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.575 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 25.0 tpt180 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.816 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 1.597 ' CG2' HG12 ' B' ' 5' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.54 171.01 8.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.056 0.455 . . . . 0.0 112.15 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 74.5 mt -147.78 -177.23 5.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.635 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -178.3 -24.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.034 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -120.92 126.89 51.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.55 -36.9 83.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.21 -32.24 73.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.779 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -76.92 -9.16 58.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 91.1 m -84.46 139.14 32.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.024 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.552 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 13.5 m -156.09 164.1 22.54 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.055 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . 0.552 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 15.7 Cg_endo -58.07 80.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.113 1.875 . . . . 0.0 111.44 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' B' ' 14' ' ' SER . 57.3 tp -81.3 142.21 33.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.966 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' B' ' 109' ' ' GLN . 23.5 mtpp -83.55 99.35 10.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.342 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.404 HD11 HG12 ' B' ' 78' ' ' VAL . 0.5 OUTLIER -86.51 -169.02 2.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.602 -179.303 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -168.29 139.04 2.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.682 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' B' ' 80' ' ' ALA . 71.4 mt-30 -56.24 118.07 4.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.778 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.422 ' HA3' ' NH2' ' B' ' 77' ' ' ARG . . . 136.27 -17.41 3.8 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.198 -179.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . 0.481 ' O ' ' HD2' ' B' ' 77' ' ' ARG . 19.0 mt-30 -96.29 165.73 12.07 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 120.944 0.402 . . . . 0.0 110.104 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -122.55 -175.51 3.16 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.181 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 1.607 HD11 ' CD2' ' B' ' 24' ' ' LEU . 4.1 tt -162.8 99.84 1.0 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.651 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.519 HG11 ' HG2' ' B' ' 75' ' ' ARG . 95.7 t -113.93 98.02 6.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.532 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 14.1 tp -90.49 159.3 16.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.04 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 82.1 m -153.16 118.47 5.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 1.589 HD12 ' CD2' ' B' ' 28' ' ' LEU . 3.7 mm? -115.04 150.22 43.86 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -83.17 118.56 2.66 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.639 2.226 . . . . 0.0 112.257 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 80.1 p -153.09 117.03 4.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.955 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . 0.403 ' HB2' HG22 ' B' ' 34' ' ' THR . 2.4 m-20 -70.5 130.45 89.06 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.677 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -77.15 9.28 2.84 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.773 2.316 . . . . 0.0 112.61 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 75.8 p -113.59 10.19 18.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.251 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.403 HG22 ' HB2' ' B' ' 31' ' ' ASN . 41.7 p -96.8 -72.65 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.329 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.64 -27.05 2.23 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.908 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -93.42 101.45 13.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.108 0.48 . . . . 0.0 110.999 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.459 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 6.9 mpt_? -94.76 -155.5 0.47 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.703 179.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.459 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 93.3 m95 -124.49 125.34 44.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -104.59 160.94 14.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.262 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.516 HD21 ' HG ' ' B' ' 88' ' ' LEU . 20.0 mt -113.21 109.65 19.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.207 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.474 HH11 HH22 ' B' ' 91' ' ' ARG . 21.9 mmm180 -85.33 -13.65 48.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.074 0.464 . . . . 0.0 110.198 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.589 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 53.3 t-20 -163.47 88.27 1.23 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.23 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -73.14 6.09 2.75 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.582 2.188 . . . . 0.0 112.814 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.437 ' HB1' HD21 ' B' ' 48' ' ' LEU . . . 57.53 27.69 14.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.981 0.419 . . . . 0.0 110.989 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.72 -4.09 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.397 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 53.0 m -76.79 -33.27 58.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.181 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 18.7 m -130.46 -40.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.761 0.315 . . . . 0.0 111.517 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 1.599 HD12 ' CD2' ' B' ' 48' ' ' LEU . 38.3 mt -77.13 155.96 31.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.06 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.448 ' CG ' ' H ' ' B' ' 50' ' ' ARG . 0.3 OUTLIER -133.87 -161.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.453 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.534 ' HB2' ' HB3' ' B' ' 77' ' ' ARG . 6.5 tpm_? . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 121.054 0.455 . . . . 0.0 110.601 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.754 0.311 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 54.3 m -63.77 151.32 42.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 61.4 m -136.48 130.4 32.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.167 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.413 ' O ' ' HA ' ' B' ' 25' ' ' VAL . 73.4 m95 -127.33 129.51 47.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.621 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.519 ' HG2' HG11 ' B' ' 25' ' ' VAL . 96.4 mtt180 -135.85 132.98 37.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.527 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 6.2 m-85 -147.11 168.18 22.26 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.513 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.534 ' HB3' ' HB2' ' B' ' 50' ' ' ARG . 9.4 tpt180 -145.98 133.41 20.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.471 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 1.597 ' CG1' HG22 ' B' ' 78' ' ' VAL . 24.5 t -68.51 110.36 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.887 0.375 . . . . 0.0 110.736 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.34 -47.91 4.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.579 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.402 ' HA ' ' NE2' ' B' ' 20' ' ' GLN . . . -133.58 157.9 44.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.192 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.613 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 51.8 p -71.25 -170.74 0.51 Allowed 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.38 163.81 12.27 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.586 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . 0.453 ' HB3' HE21 ' B' ' 109' ' ' GLN . 3.2 p-10 -98.93 110.03 22.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 110.94 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -123.65 -176.79 3.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.723 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -159.82 113.23 2.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 1.605 HD13 ' CD2' ' B' ' 86' ' ' LEU . 0.5 OUTLIER -66.76 137.13 56.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.647 179.714 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.589 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 27.6 mt-10 -135.55 120.8 19.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.986 0.422 . . . . 0.0 111.214 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.603 HD12 HD23 ' B' ' 86' ' ' LEU . 4.2 mp -133.98 152.28 51.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.314 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' B' ' 103' ' ' SER . 19.1 m -140.87 163.15 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 111.124 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -106.81 101.98 11.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.184 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.474 HH22 HH11 ' B' ' 41' ' ' ARG . 39.3 ptt180 -164.84 172.12 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.649 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.497 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 72.6 mtt180 -58.82 138.85 86.88 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.438 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' PRO . . . . . 0.436 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 89.6 Cg_endo -79.23 -15.12 12.93 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.546 2.164 . . . . 0.0 113.277 -178.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' TRP . . . . . 0.497 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 6.4 p90 -94.2 9.42 38.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.671 0.272 . . . . 0.0 111.307 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -112.27 116.29 30.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.948 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -69.72 -38.65 76.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -140.42 101.87 4.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.793 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.63 135.26 16.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.41 110.33 2.28 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.797 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . 0.418 ' HB3' ' HD3' ' B' ' 91' ' ' ARG . 78.1 Cg_endo -78.32 152.56 27.1 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.338 2.025 . . . . 0.0 112.37 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.64 -69.38 0.52 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.681 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -90.6 -165.25 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.012 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' B' ' 89' ' ' VAL . 43.3 t -171.23 165.95 7.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.961 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -168.93 106.47 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 79.7 p -129.25 141.99 50.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.847 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 85.9 m -134.88 153.61 51.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.274 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.97 141.32 31.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . 0.54 HD13 HD11 ' B' ' 86' ' ' LEU . 96.0 mt -144.95 121.51 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.077 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . 0.453 HE21 ' HB3' ' B' ' 83' ' ' ASP . 54.0 mt-30 -135.62 106.98 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.728 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 1.598 ' CG2' HG12 ' B' ' 110' ' ' VAL . 21.4 t -65.46 -79.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.127 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.485 ' HG2' HG21 ' B' ' 110' ' ' VAL . 37.3 mmt180 . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.146 -0.93 . . . . 0.0 111.066 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.428 HG22 HD13 ' B' ' 24' ' ' LEU . 3.2 m . . . . . 0 C--O 1.232 0.156 0 N-CA-C 110.21 -0.292 . . . . 0.0 110.21 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.41 151.1 39.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.814 0.34 . . . . 0.0 111.662 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 1.594 ' CD2' HD13 ' B' ' 7' ' ' LEU . 68.2 tp -141.65 154.32 45.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.71 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -163.1 15.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . 0.413 ' HB2' ' HB2' ' B' ' 12' ' ' ASP . 10.0 m-20 -132.42 -177.95 4.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.75 -43.91 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -84.51 -27.12 27.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.413 ' HB2' ' HB2' ' B' ' 9' ' ' ASP . 10.0 m-20 -81.08 10.65 4.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.029 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.444 ' HB3' ' HB3' ' B' ' 106' ' ' CYS . 99.3 m -77.39 -80.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.486 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.66 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 40.2 m 67.54 169.12 0.11 Allowed Pre-proline 0 N--CA 1.461 0.079 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . 0.66 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 7.4 Cg_endo -48.49 81.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.03 1.82 . . . . 0.0 111.769 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 1.601 HD22 ' CD1' ' B' ' 16' ' ' LEU . 11.0 mt -55.11 -168.09 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.368 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.513 ' HD3' HG21 ' B' ' 108' ' ' ILE . 5.3 mptp? 53.6 -154.94 0.23 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.436 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 1.605 ' CD1' HD23 ' B' ' 18' ' ' LEU . 17.0 tp 174.39 -51.67 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.484 0.659 . . . . 0.0 110.83 -178.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.476 HG22 ' HD3' ' B' ' 111' ' ' ARG . 49.0 m -153.49 145.49 23.66 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.684 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -51.02 148.25 4.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.449 ' HA3' ' NH2' ' B' ' 77' ' ' ARG . . . 108.39 11.73 22.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.344 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -119.32 162.95 17.9 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -138.61 -171.59 3.1 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.424 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 0.503 ' HG ' ' N ' ' B' ' 25' ' ' VAL . 0.8 OUTLIER -158.39 145.59 17.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.535 179.684 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 1.6 ' CG2' HG12 ' B' ' 25' ' ' VAL . 48.5 t -139.93 100.49 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.165 179.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.2 tp -103.57 146.56 28.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.339 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 58.7 m -142.54 108.04 5.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.7 mt -119.44 156.38 53.23 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.027 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -80.21 149.44 19.58 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.547 2.165 . . . . 0.0 112.289 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.9 p -154.49 -32.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 60.16 101.81 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.75 -9.87 12.76 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.48 2.12 . . . . 0.0 112.341 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 48.2 m -73.3 -29.07 62.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.269 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 45.3 p -74.03 -72.75 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.362 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.85 -23.9 2.75 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.958 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -87.19 97.84 10.99 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.408 0.623 . . . . 0.0 111.041 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -88.55 -155.85 0.35 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.306 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -126.06 119.4 27.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.775 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -96.71 150.49 20.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.573 HD21 ' HG ' ' B' ' 88' ' ' LEU . 68.8 mt -101.89 103.29 13.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.298 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.484 ' HD3' HH21 ' B' ' 91' ' ' ARG . 29.9 mmm180 -81.68 -14.81 56.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.223 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.567 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 56.3 t-20 -166.75 86.87 0.84 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.487 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.0 18.49 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.478 2.118 . . . . 0.0 112.627 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.15 26.17 9.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.25 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.27 -9.36 4.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.183 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 51.0 m -68.62 -33.67 74.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.442 ' HA ' ' HB3' ' B' ' 80' ' ' ALA . 30.4 m -129.17 -45.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.579 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 1.57 HD13 ' CD2' ' B' ' 48' ' ' LEU . 13.4 mt -81.85 134.58 35.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.984 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -91.08 138.44 31.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.68 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.929 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.8 0.333 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 46.0 t -70.38 149.82 46.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 89.0 m -141.17 131.11 24.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.97 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.461 ' O ' ' HA ' ' B' ' 25' ' ' VAL . 11.2 m-90 -123.19 133.27 54.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.333 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.55 ' HG2' HG13 ' B' ' 25' ' ' VAL . 87.5 mtt180 -129.79 123.35 30.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.546 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -133.41 150.12 51.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.039 0.447 . . . . 0.0 111.61 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.449 ' NH2' ' HA3' ' B' ' 21' ' ' GLY . 12.7 tpt180 -127.25 153.65 45.85 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.329 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 1.565 HG21 ' CG1' ' B' ' 78' ' ' VAL . 11.3 t -105.92 115.17 47.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.814 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -128.2 -12.38 5.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.585 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.475 ' O ' HG12 ' B' ' 110' ' ' VAL . . . -124.15 156.34 36.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.372 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.664 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 10.7 p -94.0 179.4 5.34 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.497 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.54 170.25 29.08 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.351 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.08 162.11 14.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.999 0.428 . . . . 0.0 110.971 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.452 ' OD1' ' HB ' ' B' ' 108' ' ' ILE . 8.5 p-10 -166.62 -176.41 3.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.052 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -157.88 116.98 3.21 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.752 0.311 . . . . 0.0 111.157 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 12.7 tp -73.66 132.6 42.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.34 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.567 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 23.5 mt-10 -127.25 127.39 44.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 0.0 111.538 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.573 ' HG ' HD21 ' B' ' 40' ' ' LEU . 5.2 mp -136.17 156.67 48.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.438 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 34.1 m -141.44 157.82 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 111.224 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -104.74 93.37 4.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.54 ' HD3' ' HG3' ' B' ' 100' ' ' PRO . 37.8 ptt180 -163.7 -175.13 3.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.087 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.448 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 65.3 mtt180 -81.34 122.8 81.47 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 21.5 Cg_exo -66.28 -13.23 38.98 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.936 2.424 . . . . 0.0 113.602 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' TRP . . . . . 0.448 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 39.3 p90 -100.09 21.75 12.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.349 . . . . 0.0 111.123 -179.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . 0.405 ' HB3' ' HB3' ' B' ' 98' ' ' ALA . 10.9 mm-40 -122.22 109.99 15.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.02 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -65.56 103.26 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 55.46 79.92 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.1 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' B' ' 95' ' ' GLU . . . -120.95 136.82 54.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.754 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -49.13 106.03 0.58 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.203 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . 0.54 ' HG3' ' HD3' ' B' ' 91' ' ' ARG . 2.2 Cg_endo -84.23 143.31 10.07 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.983 2.455 . . . . 0.0 112.21 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.16 -61.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.779 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.425 ' HB3' ' H ' ' B' ' 103' ' ' SER . 4.2 mm-40 -98.25 -163.25 1.02 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.36 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' SER . . . . . 0.425 ' H ' ' HB3' ' B' ' 102' ' ' GLU . 80.7 p -174.66 158.16 2.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.049 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.495 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 46.6 t80 -147.84 145.5 28.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.812 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 45.6 t -165.18 131.85 2.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' CYS . . . . . 0.444 ' HB3' ' HB3' ' B' ' 13' ' ' CYS . 90.8 m -149.62 147.06 27.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.68 156.95 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.747 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . 0.616 HG12 ' HB2' ' B' ' 16' ' ' LEU . 97.0 mt -145.34 141.23 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.425 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -139.6 139.04 36.67 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 1.602 ' CG1' HG22 ' B' ' 110' ' ' VAL . 5.2 t -112.3 160.62 11.63 Favored 'Isoleucine or valine' 0 C--N 1.337 0.065 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.542 178.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.531 ' HG2' HG23 ' B' ' 110' ' ' VAL . 27.7 mmt180 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.659 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 121.061 0.457 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.0 m -59.3 162.44 4.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.465 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.496 HD22 ' N ' ' B' ' 8' ' ' ASP . 8.3 tt -142.92 137.66 29.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.556 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.496 ' N ' HD22 ' B' ' 7' ' ' LEU . 18.5 t70 -137.52 -12.53 1.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . 0.434 ' HB2' ' HB2' ' B' ' 12' ' ' ASP . 10.0 m-20 -136.87 154.12 50.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.54 -42.94 86.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.63 -16.49 61.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.708 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.434 ' HB2' ' HB2' ' B' ' 9' ' ' ASP . 21.0 t70 -67.23 -7.09 21.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.3 173.9 7.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.448 ' HA ' ' HD2' ' B' ' 15' ' ' PRO . 74.3 m -102.04 102.57 24.65 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' B' ' 14' ' ' SER . 2.8 Cg_endo -44.96 87.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.76 2.307 . . . . 0.0 113.043 -178.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 1.586 ' CD1' HD21 ' B' ' 16' ' ' LEU . 2.3 mm? 63.39 -91.15 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.881 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 16' ' ' LEU . 41.6 mttp -26.52 101.24 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.359 -1.291 . . . . 0.0 112.19 -179.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 1.595 HD22 ' CD1' ' B' ' 18' ' ' LEU . 7.6 tp -132.13 -163.76 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.497 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.431 ' H ' ' HG ' ' B' ' 18' ' ' LEU . 19.6 m -158.68 150.9 21.49 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.942 0.401 . . . . 0.0 110.685 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.48 ' HG2' HG21 ' B' ' 78' ' ' VAL . 57.2 mt-30 -78.49 137.18 37.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.846 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.495 ' HA3' ' NH2' ' B' ' 77' ' ' ARG . . . 112.51 29.49 3.15 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.831 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -145.07 149.47 35.12 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.975 0.417 . . . . 0.0 110.609 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.501 ' HG2' ' HD3' ' B' ' 77' ' ' ARG . 30.2 mt-10 -121.76 175.17 6.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 1.608 HD12 ' CD2' ' B' ' 24' ' ' LEU . 9.1 tt -154.6 151.18 28.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.145 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 54.8 t -135.05 104.73 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.835 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 1.601 HD11 ' CD2' ' B' ' 26' ' ' LEU . 89.4 mt -70.62 136.98 49.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 56.0 m -127.12 93.28 3.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.07 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 1.569 HD13 ' CD2' ' B' ' 28' ' ' LEU . 7.5 mp -119.21 151.32 50.73 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.961 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -79.13 140.11 15.49 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.595 2.197 . . . . 0.0 112.35 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.3 p -161.79 170.08 20.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.075 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -144.05 96.64 5.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.797 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.4 -5.12 7.73 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.615 2.21 . . . . 0.0 112.396 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -91.19 1.9 56.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.398 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.555 ' HG1' ' H ' ' B' ' 35' ' ' GLY . 74.0 p -105.04 -65.04 1.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.36 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.555 ' H ' ' HG1' ' B' ' 34' ' ' THR . . . 152.59 -35.4 0.81 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.765 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -87.01 105.61 17.27 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.324 0.583 . . . . 0.0 110.946 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.428 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 14.8 mmm180 -106.01 -158.25 0.65 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.592 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.428 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 94.3 m95 -118.29 112.16 19.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -93.91 155.11 17.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.204 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.512 HD21 ' HG ' ' B' ' 88' ' ' LEU . 16.1 mt -104.1 116.35 32.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.242 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.501 ' HB2' ' HB3' ' B' ' 87' ' ' GLU . 4.2 mmp_? -93.16 -17.41 23.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.27 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.517 ' HB3' ' HB2' ' B' ' 87' ' ' GLU . 63.4 t30 -175.03 88.17 0.31 Allowed Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.722 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.437 ' HB3' HD11 ' B' ' 40' ' ' LEU . 76.2 Cg_endo -76.89 20.33 0.63 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.561 2.174 . . . . 0.0 112.545 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 58.13 27.69 15.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.86 -7.1 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.516 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -74.62 -28.76 61.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.036 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.413 HG22 ' N ' ' B' ' 48' ' ' LEU . 21.4 m -136.58 -45.74 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.466 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 1.599 HD23 ' CD1' ' B' ' 48' ' ' LEU . 18.3 mt -80.77 119.7 23.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.554 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.6 ' HZ2' ' HB3' ' B' ' 49' ' ' LYS . 5.5 ttpm? -84.72 138.07 32.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.775 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.859 0.362 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 52.3 m -94.36 141.85 28.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.984 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 63.4 m -140.46 113.72 8.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -113.84 116.08 28.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.81 135.33 46.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -139.47 158.22 44.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.242 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.501 ' HD3' ' HG2' ' B' ' 23' ' ' GLU . 7.2 tpt180 -146.8 137.55 23.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.479 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 1.595 HG23 ' CG1' ' B' ' 78' ' ' VAL . 17.6 t -85.21 121.99 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.727 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.63 -44.79 4.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.767 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.75 179.92 5.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.022 0.439 . . . . 0.0 111.447 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.76 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 6.3 p -81.73 -167.86 1.68 Allowed 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.835 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.3 155.75 13.66 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.471 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -91.67 143.86 26.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.934 0.397 . . . . 0.0 111.106 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.434 ' OD2' ' HB ' ' B' ' 108' ' ' ILE . 2.5 p-10 -159.19 177.13 11.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.816 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -156.7 102.65 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.517 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.404 ' HB3' ' HB3' ' B' ' 106' ' ' CYS . 10.9 tp -53.23 146.05 12.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.531 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.517 ' HB2' ' HB3' ' B' ' 42' ' ' ASN . 4.4 mm-40 -143.87 116.98 8.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.924 0.393 . . . . 0.0 111.718 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.512 ' HG ' HD21 ' B' ' 40' ' ' LEU . 5.8 mp -131.15 146.53 52.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.14 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.476 HG23 ' HE ' ' B' ' 91' ' ' ARG . 14.9 m -138.8 163.75 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.742 0.306 . . . . 0.0 111.155 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' TYR . . . . . 0.465 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 44.9 t80 -110.93 96.82 6.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.211 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.513 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 27.3 ptt180 -166.98 167.16 14.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.709 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.517 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 89.7 mtt180 -60.04 119.72 44.23 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.512 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.34 -28.7 85.68 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.789 2.326 . . . . 0.0 113.55 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' TRP . . . . . 0.517 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 13.3 p90 -79.86 14.62 1.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.67 0.271 . . . . 0.0 111.581 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . 0.486 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 41.9 mt-10 -112.76 123.27 49.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.778 0.323 . . . . 0.0 110.774 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' B' ' 96' ' ' LYS . 13.0 mptt -67.55 -51.35 51.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.794 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -141.66 105.25 4.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . 0.473 ' H ' ' NH1' ' B' ' 91' ' ' ARG . . . -148.5 129.27 14.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.793 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.441 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 36.7 mt-10 -54.46 117.8 14.49 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.064 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . 0.513 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 9.4 Cg_endo -87.9 165.82 7.28 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 123.214 2.609 . . . . 0.0 112.263 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.87 -30.57 21.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.025 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.465 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 27.9 mt-10 -125.55 -172.3 2.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.091 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 79.8 p -173.14 162.17 4.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.726 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.477 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 59.1 t80 -156.31 150.21 25.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.399 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 86.7 p -159.93 123.23 3.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.323 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' B' ' 86' ' ' LEU . 53.2 t -113.64 131.29 56.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.521 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.522 ' HB2' HD13 ' B' ' 16' ' ' LEU . . . -80.56 118.05 21.81 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.93 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . 0.556 HG22 HD23 ' B' ' 48' ' ' LEU . 20.0 mt -140.41 115.69 7.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . 0.671 ' HB3' ' HB3' ' B' ' 16' ' ' LEU . 53.2 tt0 -135.41 112.99 10.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.25 178.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 1.598 ' CG1' HG22 ' B' ' 110' ' ' VAL . 3.4 t -95.17 162.78 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.236 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.523 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 24.3 tpt180 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.352 -0.832 . . . . 0.0 110.748 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 1.599 HG21 ' CG1' ' B' ' 5' ' ' VAL . 54.5 t . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 121.429 0.633 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.86 145.35 32.26 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.679 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 1.596 ' CD1' HD23 ' B' ' 7' ' ' LEU . 44.2 tp -167.26 152.94 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.094 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.412 ' H ' HD23 ' B' ' 7' ' ' LEU . 4.3 p30 -162.26 14.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -139.47 159.53 41.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.831 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.55 -34.9 9.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.386 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.94 -27.21 68.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.134 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -83.19 10.79 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 77.6 m -96.23 134.91 38.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.02 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 4.1 p -164.51 161.02 15.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.699 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.8 75.48 0.31 Allowed 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.267 1.978 . . . . 0.0 111.602 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.443 HD11 ' H ' ' B' ' 17' ' ' LYS . 56.5 tp -90.32 149.65 22.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.638 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.443 ' H ' HD11 ' B' ' 16' ' ' LEU . 41.4 mttm -83.1 134.94 34.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.378 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 1.603 ' CD2' HD11 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -122.64 -165.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.493 -179.355 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.3 m -160.21 147.99 16.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.509 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.561 HE21 ' HA ' ' B' ' 80' ' ' ALA . 96.5 mt-30 -60.47 111.25 1.51 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.839 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 141.94 -7.59 2.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.546 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -105.51 -170.57 1.76 Allowed 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.827 0.346 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.47 ' HB2' HG13 ' B' ' 5' ' ' VAL . 43.3 mt-10 -150.47 -167.3 2.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.508 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 1.601 HD12 ' CD2' ' B' ' 24' ' ' LEU . 5.7 tt -163.53 128.74 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.927 179.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.472 ' N ' HD12 ' B' ' 24' ' ' LEU . 48.0 t -126.5 140.8 47.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.977 0.418 . . . . 0.0 111.4 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 1.581 HD13 ' CD2' ' B' ' 26' ' ' LEU . 47.9 mt -126.1 126.07 43.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.846 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 63.8 m -129.02 97.68 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.328 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 1.605 HD13 ' CD2' ' B' ' 28' ' ' LEU . 3.1 mm? -117.45 158.23 45.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.628 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.69 142.18 20.17 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.572 2.181 . . . . 0.0 112.233 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -152.83 -51.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.194 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 13.5 m120 61.07 98.4 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.39 -13.06 6.76 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.56 2.173 . . . . 0.0 112.596 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 79.2 p -69.48 -4.53 19.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.281 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 59.1 p -102.81 -69.17 0.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.298 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.88 -36.99 1.29 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.923 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -79.71 100.03 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.116 0.484 . . . . 0.0 110.971 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.434 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 17.0 mmm180 -92.34 -155.1 0.41 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.864 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.434 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 92.8 m95 -129.62 117.17 19.96 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.94 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -98.22 152.72 19.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.981 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.433 HD22 ' HG ' ' B' ' 88' ' ' LEU . 94.2 mt -95.63 107.12 19.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.274 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -79.29 -18.87 51.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.358 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.585 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 10.3 t30 -173.28 90.38 0.37 Allowed Pre-proline 0 CA--C 1.53 0.205 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.648 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.0 8.91 1.86 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.585 2.19 . . . . 0.0 112.522 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 52.94 30.87 9.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.64 -8.66 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.364 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 53.5 m -65.96 -30.14 70.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.439 HG22 ' HG ' ' B' ' 48' ' ' LEU . 34.7 m -131.66 -39.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.674 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 1.606 HD13 ' CD2' ' B' ' 48' ' ' LEU . 18.8 mt -90.01 123.22 33.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.836 0.35 . . . . 0.0 110.741 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.579 ' HZ2' ' HB3' ' B' ' 49' ' ' LYS . 5.0 ttpm? -75.63 151.93 37.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.034 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' SER . . . . . 0.425 ' HA ' HH22 ' B' ' 37' ' ' ARG . 47.7 t -93.45 122.46 35.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 71.0 m -125.88 128.15 47.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -126.5 136.41 52.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.755 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -143.34 124.95 14.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.048 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -137.28 144.24 42.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.919 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.43 ' HE ' ' NZ ' ' B' ' 49' ' ' LYS . 4.1 tmm_? -117.33 129.84 56.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.323 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 1.592 HG11 ' CG2' ' B' ' 78' ' ' VAL . 11.0 t -68.82 110.75 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.245 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -116.47 -10.55 11.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.393 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.561 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -144.55 157.78 44.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.059 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.525 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 58.4 m -99.3 168.29 10.12 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 121.12 0.486 . . . . 0.0 110.697 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 136.48 170.96 12.11 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.662 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -93.46 112.47 24.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.958 0.409 . . . . 0.0 110.82 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.416 ' OD2' ' HB ' ' B' ' 108' ' ' ILE . 9.8 p-10 -127.85 -173.29 2.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.001 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -166.89 104.45 0.57 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.091 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 1.578 HD13 ' CD2' ' B' ' 86' ' ' LEU . 13.1 mt -59.75 141.36 55.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 110.676 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.585 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 25.4 mt-10 -140.07 128.91 23.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.984 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.433 ' HG ' HD22 ' B' ' 40' ' ' LEU . 5.0 mp -136.82 167.29 21.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.33 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 1.576 ' CG1' HG22 ' B' ' 89' ' ' VAL . 7.4 p -150.78 158.38 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.133 0.492 . . . . 0.0 111.426 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' TYR . . . . . 0.512 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 26.9 t80 -103.14 101.02 10.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.925 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -165.53 174.92 9.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.512 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 99.1 mtt180 -78.76 133.3 62.53 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.714 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 16.7 Cg_exo -68.01 -47.22 1.88 Allowed 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.711 2.274 . . . . 0.0 113.11 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' TRP . . . . . 0.512 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 12.7 p90 -57.88 -25.78 61.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.553 -179.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -72.65 104.95 4.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.89 0.376 . . . . 0.0 110.744 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -71.32 100.69 2.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.736 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 57.1 88.66 0.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.822 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.44 156.66 48.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.55 110.99 3.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.006 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -84.62 -166.4 0.35 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.574 2.183 . . . . 0.0 112.425 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.56 -82.48 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 0.6 OUTLIER -69.46 -166.2 0.09 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.251 0.548 . . . . 0.0 111.252 179.821 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 79.4 p -175.5 155.0 1.73 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.703 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -151.17 102.88 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 79.3 p -119.44 146.35 45.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.105 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 96.4 m -146.89 136.65 23.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.57 146.57 25.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . 0.525 HD11 ' HG ' ' B' ' 86' ' ' LEU . 88.7 mt -148.48 137.58 15.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.544 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -142.18 157.07 45.28 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.235 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 1.608 HG21 ' CG1' ' B' ' 110' ' ' VAL . 0.3 OUTLIER -136.6 -153.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.309 179.756 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.119 -0.943 . . . . 0.0 111.091 -179.789 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' B' ' 24' ' ' LEU . 12.5 m . . . . . 0 C--O 1.231 0.097 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -126.51 161.79 27.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.004 0.43 . . . . 0.0 111.607 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 1.587 ' CD1' HD23 ' B' ' 7' ' ' LEU . 57.8 tp -137.21 148.95 46.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.641 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -171.68 19.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -102.27 -50.07 3.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . 75.43 -46.98 0.59 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.481 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -77.5 -27.05 51.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 110.685 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -80.37 1.45 28.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.656 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 67.3 m -63.98 129.84 41.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.519 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.539 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 16.5 m -159.95 163.35 22.68 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.951 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . 0.539 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 20.3 Cg_endo -61.4 79.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.046 1.831 . . . . 0.0 111.699 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' B' ' 14' ' ' SER . 40.1 tp -80.51 142.93 33.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.652 -179.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -92.65 115.76 28.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.54 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 10.9 mp -108.98 -168.72 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.048 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.7 m -158.81 145.38 17.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.295 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.451 ' NE2' ' HA ' ' B' ' 80' ' ' ALA . 75.8 mt-30 -52.52 104.2 0.08 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.702 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.502 ' HA3' ' NH2' ' B' ' 77' ' ' ARG . . . 146.29 13.06 0.19 Allowed Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.879 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -129.79 144.19 51.18 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.571 ' HG2' ' HB2' ' B' ' 77' ' ' ARG . 45.2 mt-10 -122.43 -176.59 3.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.943 0.401 . . . . 0.0 111.556 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 1.604 HD11 ' CD2' ' B' ' 24' ' ' LEU . 1.4 mt -152.96 146.2 24.76 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.004 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 1.603 ' CG2' HG11 ' B' ' 25' ' ' VAL . 97.2 t -145.04 92.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.325 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.9 tp -98.09 127.96 44.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.246 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -120.1 140.83 50.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 95.9 mt -142.16 129.33 11.3 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.782 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.72 144.61 94.22 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.493 2.128 . . . . 0.0 112.282 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 76.6 p -139.17 175.23 9.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.767 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -132.02 86.0 48.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.814 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -62.27 -7.16 9.62 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.542 2.161 . . . . 0.0 112.42 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 76.3 p -87.12 8.26 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.387 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.59 ' HG1' ' H ' ' B' ' 35' ' ' GLY . 69.8 p -115.83 -66.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.388 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.59 ' H ' ' HG1' ' B' ' 34' ' ' THR . . . 145.88 -20.27 1.79 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.893 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -88.18 97.3 10.92 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.099 0.476 . . . . 0.0 111.027 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.554 ' HB2' ' HD3' ' B' ' 93' ' ' PRO . 0.6 OUTLIER -88.38 -152.93 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.479 179.477 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -121.0 120.82 36.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -109.15 126.5 53.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.534 ' HG ' ' HG ' ' B' ' 88' ' ' LEU . 1.2 tt -95.48 109.34 21.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.549 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -75.53 -68.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.555 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 51.7 t-20 -102.34 99.3 12.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -79.0 -3.92 13.54 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.505 2.137 . . . . 0.0 112.665 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.423 ' HB1' HD21 ' B' ' 48' ' ' LEU . . . 55.68 27.6 10.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.8 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.71 -5.91 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.348 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -68.28 -35.97 78.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.404 HG13 ' HA2' ' B' ' 82' ' ' GLY . 28.3 m -132.83 3.94 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.625 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 1.599 HD21 ' CD1' ' B' ' 48' ' ' LEU . 92.4 mt -126.64 124.97 41.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.97 0.414 . . . . 0.0 111.353 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.455 ' HB2' ' HB3' ' B' ' 79' ' ' ALA . 16.7 mmtt -111.68 -163.4 0.85 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.569 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.511 ' HB2' ' HB3' ' B' ' 77' ' ' ARG . 29.0 tpt180 . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 121.047 0.451 . . . . 0.0 111.532 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.857 0.361 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 42.7 t -111.74 170.22 8.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 58.7 m -154.95 138.18 15.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.947 0.403 . . . . 0.0 111.412 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 7.1 m-90 -138.37 112.38 8.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.406 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.458 ' HA ' ' O ' ' B' ' 24' ' ' LEU . 29.7 ptt180 -119.33 139.25 52.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.665 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.498 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -148.26 178.46 8.55 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.691 179.634 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.571 ' HB2' ' HG2' ' B' ' 23' ' ' GLU . 9.3 tpt180 -152.33 141.27 21.14 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.321 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 1.604 HG11 ' CG2' ' B' ' 78' ' ' VAL . 93.9 t -71.55 95.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.876 0.37 . . . . 0.0 110.737 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.455 ' HB3' ' HB2' ' B' ' 49' ' ' LYS . . . -69.07 -50.06 51.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.239 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.451 ' HA ' ' NE2' ' B' ' 20' ' ' GLN . . . -144.52 -176.94 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.964 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.706 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 58.6 m -73.76 -165.06 0.25 Allowed 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.773 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . 0.404 ' HA2' HG13 ' B' ' 47' ' ' VAL . . . 102.22 163.6 26.55 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.483 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -100.43 162.15 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.634 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -168.85 -179.84 3.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.524 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -160.18 104.89 1.5 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.469 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 10.2 tp -67.87 125.08 25.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.637 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.555 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 17.2 mt-10 -122.21 116.5 24.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.117 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.534 ' HG ' ' HG ' ' B' ' 40' ' ' LEU . 5.3 mp -121.29 156.21 33.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.66 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 32.8 m -142.7 161.76 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -111.24 102.43 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.77 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.491 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 23.7 ptt180 -159.38 177.08 11.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.791 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.479 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 54.0 mtt180 -63.05 145.08 97.04 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.41 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' PRO . . . . . 0.554 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 78.7 Cg_endo -82.46 -2.75 11.19 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.782 2.321 . . . . 0.0 113.621 -178.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' TRP . . . . . 0.479 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 18.8 p90 -115.98 18.59 15.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.754 0.312 . . . . 0.0 111.43 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -114.72 122.67 47.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . 0.528 ' HB3' ' HZ2' ' B' ' 96' ' ' LYS . 5.9 ttpm? -91.11 106.99 18.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.675 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 21.1 t70 57.48 81.12 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.041 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.1 177.45 7.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.46 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 40.9 mt-10 -77.06 113.05 27.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.059 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . 0.491 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 11.3 Cg_endo -91.13 158.99 3.85 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 123.413 2.742 . . . . 0.0 112.455 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.36 -71.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.797 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -87.9 -163.37 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.053 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.5 p -174.59 158.79 2.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.415 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 56.9 t80 -154.15 148.81 26.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.826 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 78.1 p -159.95 140.42 11.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.765 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -149.88 135.78 18.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 111.404 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.16 138.56 31.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.063 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 98.3 mt -140.99 145.46 25.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.938 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -149.11 161.36 42.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.584 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 1.61 HG11 ' CG2' ' B' ' 110' ' ' VAL . 15.8 t -136.44 155.52 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.93 0.395 . . . . 0.0 111.092 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.403 ' N ' HG23 ' B' ' 110' ' ' VAL . 28.8 mmt180 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.144 -0.931 . . . . 0.0 110.995 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.842 0.353 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.42 -175.95 3.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.513 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 1.579 HD12 ' CD2' ' B' ' 7' ' ' LEU . 67.1 tp -168.98 149.53 4.34 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.618 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -162.85 -27.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.177 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -79.61 109.81 14.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.959 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.578 ' C ' ' H ' ' B' ' 12' ' ' ASP . . . -72.48 157.11 38.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 t70 63.39 -13.8 0.08 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.132 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.578 ' H ' ' C ' ' B' ' 10' ' ' ALA . 23.5 t70 -83.36 7.6 16.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.148 0.499 . . . . 0.0 109.869 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 12.9 m -88.19 170.9 10.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.789 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.501 ' O ' ' N ' ' B' ' 16' ' ' LEU . 27.9 m -164.43 165.15 13.15 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.259 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . 0.451 ' HB3' ' NE2' ' B' ' 109' ' ' GLN . 53.1 Cg_exo -52.89 81.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.056 1.837 . . . . 0.0 111.792 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 1.582 HD12 ' CD2' ' B' ' 16' ' ' LEU . 5.9 mt -51.74 163.01 0.35 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.507 0.67 . . . . 0.0 112.622 -179.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -133.98 77.6 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.214 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 10.9 mp -92.84 -169.13 2.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.181 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.1 m -157.59 156.04 31.21 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.088 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.614 HE21 ' HA ' ' B' ' 80' ' ' ALA . 93.5 mt-30 -49.63 100.71 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.01 24.23 0.99 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.287 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . 0.417 HE21 ' HA ' ' B' ' 22' ' ' GLN . 0.0 OUTLIER -115.19 105.05 12.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.708 0.29 . . . . 0.0 111.021 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -80.09 159.77 26.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.058 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 1.599 HD22 ' CD1' ' B' ' 24' ' ' LEU . 3.6 tt -159.44 132.33 6.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 1.596 ' CG1' HG22 ' B' ' 25' ' ' VAL . 88.7 t -128.31 116.4 41.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.749 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 1.606 HD21 ' CD1' ' B' ' 26' ' ' LEU . 44.4 mt -93.11 155.67 17.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.0 0.429 . . . . 0.0 111.357 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 67.7 m -157.07 103.3 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 1.602 HD21 ' CD1' ' B' ' 28' ' ' LEU . 3.6 mm? -104.03 148.38 35.79 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.744 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -79.78 119.69 4.08 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.497 2.132 . . . . 0.0 112.335 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 87.9 p -124.49 -174.78 3.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -135.59 92.82 16.76 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . 0.409 ' HB3' HH12 ' B' ' 37' ' ' ARG . 32.8 Cg_exo -60.03 -13.96 25.86 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.51 2.14 . . . . 0.0 112.44 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 53.6 m -76.45 -30.33 57.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.2 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 40.7 p -87.48 -74.16 0.45 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.559 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.51 -17.94 1.14 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.712 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -82.74 98.99 9.38 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.47 0.652 . . . . 0.0 110.921 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.409 HH12 ' HB3' ' B' ' 32' ' ' PRO . 0.8 OUTLIER -95.58 -158.63 0.66 Allowed 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.26 179.155 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -120.78 117.4 27.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.41 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -100.64 146.44 27.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.599 ' HG ' ' HG ' ' B' ' 88' ' ' LEU . 0.8 OUTLIER -108.13 103.53 12.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.599 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.474 ' NE ' ' HA ' ' B' ' 41' ' ' ARG . 4.0 mmp_? -71.57 -66.86 0.57 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.156 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -109.11 94.18 14.54 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.661 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.457 ' HB3' HD12 ' B' ' 40' ' ' LEU . 88.1 Cg_endo -81.63 9.71 3.79 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.593 2.195 . . . . 0.0 112.921 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.493 ' HB1' HD21 ' B' ' 48' ' ' LEU . . . 55.37 32.92 19.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.588 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.12 -15.02 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.784 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 48.1 t -68.88 -14.96 63.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.039 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.407 HG22 ' HG ' ' B' ' 48' ' ' LEU . 32.8 m -142.99 -10.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.101 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 1.599 HD13 ' CD2' ' B' ' 48' ' ' LEU . 80.0 mt -115.59 120.85 40.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.064 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.409 ' CG ' ' H ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -113.78 -166.86 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.577 179.839 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.585 ' HB3' ' H ' ' B' ' 77' ' ' ARG . 54.9 ttt180 . . . . . 0 C--N 1.331 -0.217 0 CA-C-O 120.903 0.383 . . . . 0.0 111.335 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.893 0.378 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 80.5 p -76.2 -175.72 3.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.77 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 56.5 m -153.42 123.74 7.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.16 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.528 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 76.7 m95 -134.0 132.65 40.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.635 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -136.21 134.54 38.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.173 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.486 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 1.4 p90 -168.04 149.83 5.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.585 ' H ' ' HB3' ' B' ' 50' ' ' ARG . 1.5 tmm_? -129.36 143.27 50.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.725 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 1.606 HG21 ' CG1' ' B' ' 78' ' ' VAL . 42.9 t -62.78 116.91 3.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.543 -179.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.12 -36.16 12.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.409 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.614 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -152.39 172.56 16.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.093 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.718 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 25.8 p -75.66 -170.67 1.34 Allowed 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.136 0.493 . . . . 0.0 111.023 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.02 152.75 8.47 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.555 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -100.88 111.86 24.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.854 0.359 . . . . 0.0 111.026 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -137.6 -170.97 2.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.654 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -150.91 149.76 30.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.782 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 9.2 tp -96.82 144.81 26.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.355 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -141.8 109.81 5.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.859 0.362 . . . . 0.0 111.762 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.599 ' HG ' ' HG ' ' B' ' 40' ' ' LEU . 6.8 mp -121.08 157.03 30.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.336 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.562 HG23 ' HE ' ' B' ' 91' ' ' ARG . 15.4 m -143.23 171.77 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.732 0.301 . . . . 0.0 111.225 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' TYR . . . . . 0.451 ' CB ' ' HB2' ' B' ' 102' ' ' GLU . 44.1 t80 -116.37 97.4 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.393 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.562 ' HE ' HG23 ' B' ' 89' ' ' VAL . 18.9 ptt180 -167.53 167.85 13.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.543 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 40.7 mtt180 -60.74 122.96 72.26 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.651 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -62.0 -27.89 79.97 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.711 2.274 . . . . 0.0 113.325 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' TRP . . . . . 0.467 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 18.1 p90 -81.15 19.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.674 0.273 . . . . 0.0 111.691 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . 0.543 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 46.7 mt-10 -112.23 125.08 53.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.831 0.348 . . . . 0.0 110.845 179.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -62.53 -51.43 67.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.954 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . 0.408 ' HA ' HH12 ' B' ' 91' ' ' ARG . 16.7 t70 -151.83 110.66 3.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . 0.47 ' H ' ' NH1' ' B' ' 91' ' ' ARG . . . -138.23 -176.82 4.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.769 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -103.9 99.03 14.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.96 132.58 23.31 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.515 2.143 . . . . 0.0 112.247 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.41 -48.65 80.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.35 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.451 ' HB2' ' CB ' ' B' ' 90' ' ' TYR . 25.0 mt-10 -103.87 -170.7 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.1 p -167.88 161.03 12.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.63 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.543 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 66.6 t80 -155.41 155.13 33.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.472 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 28.7 t -167.61 140.72 3.36 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.499 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 20.0 t -144.54 113.53 6.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.676 0.274 . . . . 0.0 111.412 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.7 134.2 55.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.601 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 27.1 mt -138.17 116.35 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.703 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . 0.451 ' NE2' ' HB3' ' B' ' 15' ' ' PRO . 77.5 mt-30 -123.68 137.71 54.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.744 178.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 1.609 ' CG2' HG12 ' B' ' 110' ' ' VAL . 18.7 t -128.37 156.22 40.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.195 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.548 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 34.0 mmt180 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.025 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 121.048 0.451 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.12 164.33 24.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.777 -178.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 1.595 ' CD1' HD23 ' B' ' 7' ' ' LEU . 62.9 tp -142.38 146.6 35.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.595 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -136.83 -42.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -88.05 159.12 18.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.77 -3.88 9.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -79.57 -18.39 51.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -93.83 -4.42 50.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 73.0 m -59.85 135.19 57.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.136 0.493 . . . . 0.0 111.175 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.435 ' HB2' ' HD2' ' B' ' 15' ' ' PRO . 6.7 p -173.43 163.06 3.33 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.07 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' B' ' 14' ' ' SER . 18.9 Cg_endo -61.28 77.51 0.08 OUTLIER 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.21 1.94 . . . . 0.0 111.463 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' B' ' 14' ' ' SER . 63.7 tp -83.49 137.63 33.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.381 -179.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.533 ' HB3' ' HZ2' ' B' ' 17' ' ' LYS . 6.1 mtpm? -82.23 104.27 12.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.897 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 1.593 ' CD2' HD11 ' B' ' 18' ' ' LEU . 10.6 mp -94.58 -169.24 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.903 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.2 m -154.76 149.93 27.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.036 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -70.58 104.29 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.905 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 152.25 23.34 0.05 OUTLIER Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.314 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . 0.494 HE22 ' HG ' ' B' ' 18' ' ' LEU . 9.4 pt20 -143.18 165.62 26.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.717 0.259 . . . . 0.0 110.611 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -117.42 -173.31 2.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.379 0.609 . . . . 0.0 111.835 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 9.4 tp -163.01 114.34 1.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.049 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.417 HG11 ' HG2' ' B' ' 75' ' ' ARG . 58.8 t -127.07 92.15 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.982 0.42 . . . . 0.0 110.885 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 1.596 HD12 ' CD2' ' B' ' 26' ' ' LEU . 93.6 mt -63.71 157.33 24.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.207 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 66.6 m -155.59 111.8 3.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -134.75 155.03 79.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.38 142.16 11.72 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.597 2.198 . . . . 0.0 112.435 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 73.4 p -146.31 -179.77 6.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.688 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -126.61 83.98 63.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.63 -16.79 56.79 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.628 2.218 . . . . 0.0 112.217 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 67.6 p -89.16 -17.94 28.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 90.1 m -83.37 -68.26 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.06 -36.6 0.56 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.538 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -78.03 102.55 7.48 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.06 0.457 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.491 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 14.9 mmm180 -103.2 -159.54 0.73 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.129 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . 0.491 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 97.0 m95 -118.54 126.35 51.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.831 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -111.04 134.13 52.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 1.601 HD23 ' CD1' ' B' ' 40' ' ' LEU . 51.4 tp -79.56 130.25 35.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.736 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.619 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 0.0 OUTLIER -110.01 -50.85 2.93 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.274 -179.526 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.596 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 63.0 t30 -143.87 93.2 6.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.024 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.507 ' HB3' HD12 ' B' ' 40' ' ' LEU . 75.4 Cg_endo -76.83 13.07 1.53 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.554 2.17 . . . . 0.0 112.589 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.442 ' HB1' HD21 ' B' ' 48' ' ' LEU . . . 54.24 30.67 12.74 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.04 -9.52 2.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.461 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 57.6 m -62.44 -32.28 73.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 35.9 m -130.98 -36.45 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.635 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 1.605 HD13 ' CD2' ' B' ' 48' ' ' LEU . 14.2 mt -88.57 124.41 34.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.789 0.328 . . . . 0.0 110.856 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -85.84 144.17 27.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.85 0.357 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 78.8 p -108.11 134.5 50.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.963 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 63.0 m -145.46 103.83 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.869 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -105.85 114.2 28.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.788 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.417 ' HG2' HG11 ' B' ' 25' ' ' VAL . 72.6 mtm180 -97.81 141.14 31.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.083 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -146.29 166.94 24.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.495 ' HD3' ' N ' ' B' ' 78' ' ' VAL . 4.1 tmt_? -151.78 136.39 17.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.392 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 1.604 ' CG2' HG12 ' B' ' 78' ' ' VAL . 26.6 t -86.42 121.46 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.085 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.433 ' HB3' HH11 ' B' ' 77' ' ' ARG . . . -132.7 -19.18 2.37 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.529 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -129.64 152.06 49.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.931 0.396 . . . . 0.0 111.262 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.601 ' HB2' ' HB2' ' B' ' 111' ' ' ARG . 11.8 p -88.45 -179.55 6.1 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 115.76 179.48 18.27 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.513 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -100.74 154.36 18.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.938 0.399 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -168.59 -176.08 2.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.649 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -163.2 111.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 1.595 HD12 ' CD2' ' B' ' 86' ' ' LEU . 17.5 mt -64.56 143.41 57.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.754 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.596 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 18.8 mt-10 -139.42 109.25 6.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.272 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 mp -118.72 118.5 31.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.3 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 1.606 ' CG2' HG12 ' B' ' 89' ' ' VAL . 7.8 p -99.83 160.8 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.112 0.482 . . . . 0.0 111.315 -179.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -115.09 97.96 6.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.941 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.541 HH21 ' HG3' ' B' ' 100' ' ' PRO . 16.4 ptp180 -151.04 179.54 8.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.823 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.449 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 99.1 mtt180 -83.72 137.9 41.02 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.577 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 19.4 Cg_exo -66.62 -43.18 7.95 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.79 2.327 . . . . 0.0 113.329 -179.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' TRP . . . . . 0.449 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 4.2 p90 -68.59 -17.13 64.07 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . 0.431 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 35.9 mt-10 -78.46 -21.61 48.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.491 0.186 . . . . 0.0 111.236 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt 62.82 -79.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.283 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -124.09 101.56 7.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.825 0.345 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.77 -178.95 6.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.986 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -78.3 113.32 32.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.059 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . 0.541 ' HG3' HH21 ' B' ' 91' ' ' ARG . 84.9 Cg_endo -79.97 165.8 21.58 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.59 2.193 . . . . 0.0 112.605 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.19 -53.53 4.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.007 0.432 . . . . 0.0 110.946 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.46 ' HB3' ' H ' ' B' ' 103' ' ' SER . 5.3 mm-40 -104.0 -163.01 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.616 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' SER . . . . . 0.46 ' H ' ' HB3' ' B' ' 102' ' ' GLU . 80.1 p -175.04 155.64 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.831 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -152.1 140.36 20.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 80.2 p -159.21 121.35 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.561 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.66 140.0 53.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.029 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.56 141.0 32.95 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . 0.52 HD13 ' HG ' ' B' ' 86' ' ' LEU . 90.6 mt -147.97 131.75 8.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . 0.465 ' O ' ' HA ' ' B' ' 17' ' ' LYS . 8.4 tt0 -149.64 108.46 3.86 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.799 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 1.607 ' CG1' HG22 ' B' ' 110' ' ' VAL . 55.2 t -59.96 -91.4 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.112 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.601 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 39.7 mmt180 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.911 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 1.601 HG21 ' CG1' ' B' ' 5' ' ' VAL . 58.9 t . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.677 0.275 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.5 m -124.28 163.83 20.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.898 0.38 . . . . 0.0 111.236 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.81 128.63 35.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.522 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -139.4 -8.64 1.29 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -129.39 114.17 15.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.559 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.12 -0.57 7.98 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.829 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -106.81 -6.43 17.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.797 0.332 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -80.01 12.18 2.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.604 ' HB3' ' HA ' ' B' ' 106' ' ' CYS . 38.3 m -59.6 143.81 49.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.421 ' HA ' ' HD3' ' B' ' 15' ' ' PRO . 32.2 t -177.77 138.14 0.39 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.698 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 14' ' ' SER . 24.3 Cg_exo -63.66 80.78 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.282 1.988 . . . . 0.0 111.583 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 44.3 tp -89.97 161.13 16.03 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.638 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -112.58 131.52 55.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.702 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.579 ' H ' ' HA ' ' B' ' 110' ' ' VAL . 11.0 mp -114.68 -167.61 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.764 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.9 m -154.56 144.73 21.94 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.682 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -56.65 100.41 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.809 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 150.76 -8.68 0.72 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.544 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -104.02 -179.38 3.93 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -146.98 -171.67 3.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.483 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 1.605 HD13 ' CD2' ' B' ' 24' ' ' LEU . 3.2 tt -167.41 134.22 2.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.488 178.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.591 HG23 ' HG2' ' B' ' 75' ' ' ARG . 90.9 t -129.41 115.21 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.609 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 1.603 HD21 ' CD1' ' B' ' 26' ' ' LEU . 96.0 mt -78.96 138.28 37.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.974 0.416 . . . . 0.0 111.284 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 54.8 m -132.61 120.03 21.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.508 HD12 ' HB3' ' B' ' 72' ' ' SER . 6.4 mp -111.34 154.02 43.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.285 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -80.4 12.89 2.39 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 123.03 2.487 . . . . 0.0 111.392 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 84.4 p -57.97 173.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.215 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . 0.488 HD21 HG22 ' B' ' 34' ' ' THR . 6.7 t30 -147.83 141.83 16.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.605 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -52.17 -59.16 1.19 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.506 2.137 . . . . 0.0 112.913 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 43.2 m -82.65 84.83 7.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.485 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.488 HG22 HD21 ' B' ' 31' ' ' ASN . 27.0 p -150.31 -68.72 0.19 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.965 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.98 -36.74 1.65 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.836 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . 0.576 ' HA ' ' HG2' ' B' ' 92' ' ' ARG . 17.8 m-85 -88.31 101.17 13.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.089 0.471 . . . . 0.0 110.92 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -77.67 -147.12 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.507 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -136.65 120.11 17.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.763 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -111.93 118.56 35.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.758 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.476 HD22 ' N ' ' B' ' 41' ' ' ARG . 2.0 tt -91.13 128.8 37.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.905 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.476 ' N ' HD22 ' B' ' 40' ' ' LEU . 22.4 mmm180 -96.75 -67.03 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.938 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.613 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 62.7 t30 -118.14 95.57 48.53 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.059 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -77.56 5.66 5.02 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.531 2.154 . . . . 0.0 112.906 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.423 ' HB1' HD21 ' B' ' 48' ' ' LEU . . . 54.67 27.99 9.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.821 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.3 -17.22 18.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.463 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.3 t -62.54 -21.58 65.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.076 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 30.6 m -131.8 -13.07 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.502 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 1.566 HD21 ' CD1' ' B' ' 48' ' ' LEU . 80.1 mt -109.27 159.92 16.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.842 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.608 ' HE2' ' HA ' ' B' ' 49' ' ' LYS . 0.1 OUTLIER -137.24 -142.45 0.17 Allowed 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.486 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.527 ' HB3' ' HA ' ' B' ' 76' ' ' PHE . 46.7 ttt180 . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 121.315 0.578 . . . . 0.0 110.805 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.891 0.377 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' SER . . . . . 0.508 ' HB3' HD12 ' B' ' 28' ' ' LEU . 46.9 t -96.46 154.04 17.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.828 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 39.7 m -155.3 83.98 1.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.238 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -86.05 110.68 19.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.267 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.591 ' HG2' HG23 ' B' ' 25' ' ' VAL . 91.3 mtt180 -108.03 137.77 45.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 111.702 -179.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.527 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -151.53 161.56 42.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.51 179.278 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.519 ' HD2' ' N ' ' B' ' 78' ' ' VAL . 3.2 tmm_? -134.4 135.63 42.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.53 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 1.587 ' CG2' HG12 ' B' ' 78' ' ' VAL . 56.1 t -59.33 108.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.969 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.527 ' HB3' ' HB2' ' B' ' 49' ' ' LYS . . . -92.31 -47.89 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.404 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.47 171.82 14.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.689 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 52.4 p -69.01 -165.03 0.06 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.718 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.71 159.11 12.38 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.682 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -110.79 112.15 23.81 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.897 0.379 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.05 -168.11 1.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.955 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -161.98 115.61 1.84 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.762 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 1.602 ' CD1' HD22 ' B' ' 86' ' ' LEU . 5.7 mt -63.08 135.51 57.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.685 0.279 . . . . 0.0 110.718 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.613 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 23.6 mt-10 -136.45 111.65 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.002 -179.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.575 ' HB2' ' HB2' ' B' ' 104' ' ' PHE . 4.9 mp -134.34 168.49 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.45 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 13.2 m -148.88 134.17 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.982 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -87.4 85.16 7.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.407 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.699 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 16.4 ptm180 -139.62 -173.2 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.32 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.576 ' HG2' ' HA ' ' B' ' 36' ' ' PHE . 78.7 mtt180 -91.56 151.08 42.17 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.563 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -74.21 -22.79 16.31 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.908 2.405 . . . . 0.0 113.502 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' TRP . . . . . 0.513 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 27.5 p90 -98.53 30.26 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.603 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -127.95 115.47 18.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -69.35 -62.07 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.123 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -137.0 96.42 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.26 130.54 15.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.438 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 37.8 mt-10 -53.28 121.81 27.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . 0.699 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 55.7 Cg_endo -94.16 -178.01 0.61 Allowed 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.325 2.683 . . . . 0.0 112.877 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.82 -69.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.687 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -99.69 -169.87 1.81 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.149 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 39.4 m -167.97 157.44 9.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.083 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.575 ' HB2' ' HB2' ' B' ' 88' ' ' LEU . 17.1 m-85 -139.0 139.99 38.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.067 0.46 . . . . 0.0 111.517 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' B' ' 86' ' ' LEU . 78.7 p -174.39 82.82 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.485 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' CYS . . . . . 0.604 ' HA ' ' HB3' ' B' ' 13' ' ' CYS . 96.6 m -114.84 145.73 41.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.089 0.471 . . . . 0.0 111.466 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.01 143.98 39.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.215 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 68.7 mt -147.44 118.83 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.649 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . 0.413 ' NE2' ' HB3' ' B' ' 15' ' ' PRO . 76.8 mt-30 -129.62 163.92 25.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.901 0.381 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 1.606 ' CG2' HG12 ' B' ' 110' ' ' VAL . 25.6 t -133.59 157.43 42.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.742 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.413 ' N ' HG23 ' B' ' 110' ' ' VAL . 21.0 tpt180 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.054 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 1.609 HG13 ' CG2' ' B' ' 5' ' ' VAL . 66.9 t . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.663 0.268 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 m -68.64 161.91 27.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.336 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 1.604 ' CD2' HD11 ' B' ' 7' ' ' LEU . 56.5 tp -145.76 159.02 43.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.699 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -163.15 -61.3 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -71.09 142.16 50.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.83 -17.67 24.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -73.66 -30.78 63.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.0 -1.24 47.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 84.3 m -81.8 120.45 25.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.015 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.505 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 19.5 m -155.54 161.08 30.21 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.426 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 28.5 Cg_endo -63.18 78.06 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.278 1.986 . . . . 0.0 111.645 179.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.424 HD11 ' H ' ' B' ' 17' ' ' LYS . 47.1 tp -97.46 142.06 29.77 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.43 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.424 ' H ' HD11 ' B' ' 16' ' ' LEU . 14.1 mptt -74.24 141.0 45.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.13 0.49 . . . . 0.0 110.925 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.435 ' HG ' ' NE2' ' B' ' 22' ' ' GLN . 3.9 mp -126.97 -163.72 1.28 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.789 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.2 t -161.09 141.87 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -58.25 119.06 6.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.507 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.484 ' HA3' ' NH2' ' B' ' 77' ' ' ARG . . . 134.28 6.4 2.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.01 -179.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . 0.435 ' NE2' ' HG ' ' B' ' 18' ' ' LEU . 9.7 mt-30 -124.37 160.33 28.37 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -135.92 -164.54 1.56 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.228 0.537 . . . . 0.0 112.134 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' B' ' 75' ' ' ARG . 5.2 tp -157.81 147.36 19.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.911 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 1.587 ' CG2' HG11 ' B' ' 25' ' ' VAL . 15.9 t -148.56 107.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.567 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -109.28 143.06 39.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.829 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 59.3 m -138.31 117.37 12.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.1 mt -120.67 157.6 53.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.27 130.18 11.81 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.476 2.118 . . . . 0.0 112.225 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 82.4 p -165.87 124.75 1.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -77.21 119.61 78.19 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.723 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.28 164.34 36.07 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.563 2.175 . . . . 0.0 112.461 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' THR . . . . . 0.54 ' H ' HH12 ' B' ' 37' ' ' ARG . 69.2 p 49.81 26.01 1.76 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.502 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 90.3 m -97.77 -64.06 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.04 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.46 -47.11 0.32 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.618 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -92.66 104.54 16.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.954 0.406 . . . . 0.0 111.241 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.54 HH12 ' H ' ' B' ' 33' ' ' THR . 0.3 OUTLIER -103.61 -155.22 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.323 179.514 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -128.89 115.68 18.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.67 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -97.0 147.91 23.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.517 HD22 ' HG ' ' B' ' 88' ' ' LEU . 85.1 mt -100.72 100.99 11.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.18 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -75.56 -13.44 60.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.974 0.416 . . . . 0.0 110.099 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.437 ' HB2' ' HB2' ' B' ' 87' ' ' GLU . 6.1 t30 -167.7 89.89 0.7 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.626 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.44 6.43 3.15 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.372 2.048 . . . . 0.0 112.523 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.3 26.27 10.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.65 -6.91 3.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.262 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 57.5 m -69.3 -34.6 74.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.054 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.433 HG22 ' HG ' ' B' ' 48' ' ' LEU . 31.4 m -127.63 -39.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.488 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 1.604 HD22 ' CD1' ' B' ' 48' ' ' LEU . 13.9 mt -88.63 125.71 34.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.746 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.631 ' HZ2' ' HB3' ' B' ' 49' ' ' LYS . 5.6 ttpm? -84.57 139.81 31.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.693 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 53.0 m -65.8 119.94 12.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 66.2 m -110.14 128.2 55.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -115.12 103.39 10.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.979 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' B' ' 24' ' ' LEU . 53.1 ttp180 -110.4 128.25 55.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -138.28 152.69 48.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.9 0.381 . . . . 0.0 111.406 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.484 ' NH2' ' HA3' ' B' ' 21' ' ' GLY . 7.4 tpt180 -130.44 144.24 51.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.326 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 1.608 ' CG1' HG22 ' B' ' 78' ' ' VAL . 40.1 t -87.89 115.24 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.891 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.63 -41.24 8.22 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.603 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -140.39 179.91 6.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.955 0.407 . . . . 0.0 111.336 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.718 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 74.7 m -86.44 -168.11 2.12 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.822 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 112.91 169.44 17.53 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.588 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . 0.446 ' HB3' HE22 ' B' ' 109' ' ' GLN . 3.5 p30 -94.37 149.92 20.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.764 0.316 . . . . 0.0 110.73 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -167.38 170.79 11.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.708 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -155.69 108.49 2.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.411 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.44 ' HG ' HD13 ' B' ' 88' ' ' LEU . 11.4 tp -65.19 123.99 20.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.948 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.437 ' HB2' ' HB2' ' B' ' 42' ' ' ASN . 36.0 mt-10 -117.18 125.63 51.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.517 ' HG ' HD22 ' B' ' 40' ' ' LEU . 5.3 mp -133.35 149.47 51.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.685 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 27.8 m -140.8 158.95 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.967 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' TYR . . . . . 0.526 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 36.8 t80 -110.03 102.91 11.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.03 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.505 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 22.6 ptt180 -166.67 178.51 5.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.815 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -61.67 134.87 93.98 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.572 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -83.45 29.36 0.55 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.859 2.373 . . . . 0.0 114.849 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 -130.53 -12.98 3.86 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.22 0.533 . . . . 0.0 109.704 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -71.5 144.71 49.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.983 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' B' ' 96' ' ' LYS . 0.0 OUTLIER -91.51 -35.42 14.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.668 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -170.1 102.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.857 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.91 146.34 25.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.08 111.94 3.99 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.008 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . 0.505 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 1.9 Cg_endo -82.49 163.77 16.74 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.104 2.536 . . . . 0.0 112.195 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.82 -69.37 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.662 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.526 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 3.0 mm-40 -90.46 -164.37 1.16 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.946 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.1 p -175.96 166.63 3.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.059 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.47 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 44.2 t80 -162.72 149.66 13.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.766 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 79.3 p -167.8 141.58 3.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 93.2 m -149.45 134.19 17.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.5 147.34 27.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.231 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 80.0 mt -145.67 136.4 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . 0.446 HE22 ' HB3' ' B' ' 83' ' ' ASP . 0.0 OUTLIER -131.03 146.81 52.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.651 179.831 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 1.594 HG23 ' CG1' ' B' ' 110' ' ' VAL . 4.4 t -139.79 149.99 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.892 0.377 . . . . 0.0 111.117 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.845 179.824 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.465 0.316 0 CA-C-O 120.914 0.388 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' B' ' 25' ' ' VAL . 1.7 m -74.34 159.24 32.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.493 -179.769 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 1.594 ' CD2' HD13 ' B' ' 7' ' ' LEU . 2.5 pt? -160.17 -166.01 1.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.542 179.614 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -158.38 -38.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.247 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -73.11 123.73 24.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.907 -179.733 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.573 ' C ' ' H ' ' B' ' 12' ' ' ASP . . . -83.52 171.82 13.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.19 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' B' ' 10' ' ' ALA . 4.1 t70 64.07 -16.48 0.07 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.174 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.573 ' H ' ' C ' ' B' ' 10' ' ' ALA . 23.2 t70 -81.2 4.34 20.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.077 0.465 . . . . 0.0 110.215 179.645 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 74.5 m -79.71 -80.35 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.246 -179.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.587 ' O ' ' N ' ' B' ' 16' ' ' LEU . 12.5 p 65.7 162.33 0.13 Allowed Pre-proline 0 CA--C 1.522 -0.102 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.39 75.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.462 2.108 . . . . 0.0 112.466 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 1.59 ' CD2' HD13 ' B' ' 16' ' ' LEU . 6.7 mt -54.72 170.56 0.16 Allowed 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.395 0.617 . . . . 0.0 111.891 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' B' ' 17' ' ' LYS . 11.5 mptt -115.64 87.7 2.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.41 179.803 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 1.58 ' CD1' HD21 ' B' ' 18' ' ' LEU . 9.8 mp -98.53 -174.6 2.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.382 -179.696 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 13.1 m -163.05 157.31 20.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.953 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.526 HE21 ' HA ' ' B' ' 80' ' ' ALA . 94.6 mt-30 -51.15 99.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.766 179.758 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.43 20.55 1.75 Allowed Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.939 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -104.77 167.23 9.86 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.671 0.272 . . . . 0.0 110.273 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -141.77 117.5 10.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 -179.172 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 52.3 tp -96.89 114.21 25.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.871 178.59 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.508 HG11 ' HG2' ' B' ' 75' ' ' ARG . 20.7 t -118.24 158.31 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.023 -179.412 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 67.5 tp -166.62 147.18 6.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.838 0.352 . . . . 0.0 111.028 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 73.7 m -138.84 132.09 29.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 89.2 mt -136.65 127.97 16.73 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.475 ' HA ' ' HG2' ' B' ' 71' ' ' GLU . 24.5 Cg_exo -63.56 146.31 92.61 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.507 2.138 . . . . 0.0 112.272 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 80.6 p -149.01 122.08 8.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.74 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -60.96 112.88 6.41 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.08 137.9 82.21 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.461 2.107 . . . . 0.0 112.268 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 33' ' ' THR . . . . . 0.555 ' H ' HH12 ' B' ' 37' ' ' ARG . 33.3 m 54.46 80.0 0.13 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.152 -179.831 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 67.3 m -141.3 -59.51 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.06 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.54 -51.04 0.5 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.024 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -94.24 110.39 22.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.301 0.572 . . . . 0.0 111.049 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.555 HH12 ' H ' ' B' ' 33' ' ' THR . 14.3 mmt180 -104.54 -154.11 0.5 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.155 179.35 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -117.92 111.7 19.35 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.822 179.298 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -102.32 133.78 46.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.159 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 tt -81.76 120.68 25.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.111 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.517 ' NE ' ' HA ' ' B' ' 41' ' ' ARG . 5.7 tpm_? -88.2 -66.85 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.043 -179.538 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.581 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 56.1 t30 -123.34 101.44 37.74 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.62 179.704 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.65 6.29 3.76 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.535 2.157 . . . . 0.0 112.993 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.37 26.61 3.19 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.754 0.312 . . . . 0.0 110.827 -179.637 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.31 -13.54 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.466 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 45.9 t -60.8 -27.55 68.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.413 HG22 ' HG ' ' B' ' 48' ' ' LEU . 20.4 m -130.65 -43.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.726 -179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 1.601 HD13 ' CD2' ' B' ' 48' ' ' LEU . 21.1 mt -80.15 161.43 25.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.78 0.324 . . . . 0.0 110.742 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.522 ' HB2' ' HB3' ' B' ' 79' ' ' ALA . 77.8 tttt -118.38 142.77 47.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.804 -179.731 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.138 -179.937 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.475 ' HG2' ' HA ' ' B' ' 29' ' ' PRO . 45.3 mt-10 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.837 0.351 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 78.6 p -141.36 157.66 44.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 52.9 m -142.85 143.05 31.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.184 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.42 ' O ' ' HA ' ' B' ' 25' ' ' VAL . 22.5 m-90 -126.83 131.6 51.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.82 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.508 ' HG2' HG11 ' B' ' 25' ' ' VAL . 71.6 mtm180 -144.66 117.12 8.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.748 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -131.21 135.53 47.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.835 0.35 . . . . 0.0 111.334 -179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -101.15 128.45 47.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.188 179.554 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 1.598 ' CG2' HG12 ' B' ' 78' ' ' VAL . 16.3 t -67.17 134.52 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.382 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.522 ' HB3' ' HB2' ' B' ' 49' ' ' LYS . . . -108.69 -37.04 6.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.302 -179.632 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.526 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -151.55 179.71 8.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.912 0.386 . . . . 0.0 111.335 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.726 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 5.3 p -84.22 -171.24 3.5 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.989 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 121.55 160.11 10.91 Favored Glycine 0 C--N 1.323 -0.186 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.327 -179.689 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.83 130.05 44.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.94 0.4 . . . . 0.0 111.252 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -154.33 -171.53 3.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.459 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -162.84 109.93 1.23 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.045 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 13.0 tp -63.32 124.11 20.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.462 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.581 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 16.5 mt-10 -117.96 129.19 55.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.087 0.47 . . . . 0.0 111.386 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.3 mp -137.41 145.65 43.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.146 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 5.7 m -139.88 149.15 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.023 0.439 . . . . 0.0 111.475 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 90' ' ' TYR . . . . . 0.512 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 60.5 t80 -94.49 94.01 7.97 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.8 -179.619 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.629 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 17.6 ptp180 -146.53 -173.75 4.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.502 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 99.1 mtt180 -84.42 122.48 75.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.372 179.713 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.54 -46.81 27.4 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.805 2.337 . . . . 0.0 113.316 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 94' ' ' TRP . . . . . 0.502 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 7.2 p90 -59.33 -18.82 41.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.642 -179.313 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . 0.401 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 37.1 mt-10 -82.74 138.1 34.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.743 0.306 . . . . 0.0 110.884 179.647 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -77.62 -59.57 2.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -145.75 101.88 3.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.16 -179.31 5.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 179.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -89.0 110.12 35.66 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.992 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . 0.629 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 73.4 Cg_endo -75.76 162.22 35.48 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.595 2.197 . . . . 0.0 112.471 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.02 -48.2 10.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.192 0.52 . . . . 0.0 110.302 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 5.1 mm-40 -109.42 -162.1 0.79 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.884 179.421 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 103' ' ' SER . . . . . 0.454 ' H ' ' HB3' ' B' ' 102' ' ' GLU . 80.4 p -176.61 159.46 1.87 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.208 179.831 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -154.18 143.02 21.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.654 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 56.1 m -157.89 140.32 14.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.162 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 67.6 m -149.78 127.14 11.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.048 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.66 142.83 33.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.558 179.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . 0.444 HD12 HD22 ' B' ' 48' ' ' LEU . 40.8 mt -135.54 112.52 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.967 0.413 . . . . 0.0 111.765 -179.596 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -110.19 107.55 17.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.642 179.223 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 1.605 HG13 ' CG2' ' B' ' 110' ' ' VAL . 10.8 t -98.88 154.81 3.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.985 0.421 . . . . 0.0 111.405 -179.691 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.601 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 27.9 tpt180 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.791 179.611 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.91 0.386 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -75.78 162.64 28.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.435 -179.209 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 84.6 mt -140.19 160.11 40.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.051 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -148.88 6.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.636 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -164.92 146.69 7.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.826 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.402 ' HA ' ' SG ' ' B' ' 13' ' ' CYS . . . -71.59 -19.11 62.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.4 -179.695 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -63.78 -42.72 97.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.044 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -105.56 28.36 7.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.021 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.402 ' SG ' ' HA ' ' B' ' 10' ' ' ALA . 0.6 OUTLIER -46.58 -84.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.226 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 66.8 m -159.08 146.08 12.89 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.525 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -79.36 33.27 0.49 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.614 2.21 . . . . 0.0 113.238 -179.363 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.471 ' HA ' ' C ' ' B' ' 107' ' ' ALA . 36.5 tp 60.45 -110.41 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.65 179.655 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.601 ' HA ' ' O ' ' B' ' 109' ' ' GLN . 80.3 mttt -30.97 103.03 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.634 179.252 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mp -126.92 -160.53 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.874 -179.648 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.452 ' HA ' HG21 ' B' ' 110' ' ' VAL . 23.4 m -157.35 147.47 20.77 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.113 0.482 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -59.16 158.16 9.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.429 ' HA3' ' NH2' ' B' ' 77' ' ' ARG . . . 106.97 6.46 34.45 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.961 179.751 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -127.95 152.47 47.85 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.894 0.378 . . . . 0.0 110.539 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.556 ' HG2' ' HD3' ' B' ' 77' ' ' ARG . 32.7 mt-10 -118.78 -171.23 2.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.442 -179.789 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 tp -161.14 143.22 12.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.318 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 1.608 HG23 ' CG1' ' B' ' 25' ' ' VAL . 64.9 t -146.99 91.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.103 178.837 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 1.599 HD13 ' CD2' ' B' ' 26' ' ' LEU . 92.9 mt -63.85 158.21 22.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.313 -179.431 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 63.2 m -145.64 103.19 3.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.967 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 79.3 mt -130.02 142.64 46.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -80.93 121.0 3.92 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.566 2.177 . . . . 0.0 112.431 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 80.4 p -165.42 125.44 1.82 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . 0.439 ' HB2' HG21 ' B' ' 34' ' ' THR . 78.8 m-20 -93.72 137.09 23.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.777 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -78.72 16.0 1.36 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.694 2.263 . . . . 0.0 112.71 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 78.2 p -123.22 11.74 9.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.208 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.439 HG21 ' HB2' ' B' ' 31' ' ' ASN . 71.9 p -99.36 -59.86 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.242 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.89 -45.23 0.89 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.007 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -87.54 102.84 14.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.038 0.447 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.582 ' HB2' ' HG3' ' B' ' 93' ' ' PRO . 14.6 mmm180 -102.91 -156.59 0.57 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.793 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -122.79 115.47 22.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.662 179.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -90.95 149.81 21.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.47 -179.411 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 1.597 HD12 ' CD2' ' B' ' 40' ' ' LEU . 68.6 tp -104.62 116.22 31.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.561 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -94.99 -60.55 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.385 -179.698 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.602 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 63.7 t30 -133.18 90.84 29.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.075 -179.716 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.479 ' HB3' HD12 ' B' ' 40' ' ' LEU . 58.1 Cg_endo -71.17 -0.48 8.1 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.618 2.212 . . . . 0.0 112.667 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.97 23.95 7.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.931 0.396 . . . . 0.0 110.449 -179.327 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.62 -15.81 5.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.415 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 55.0 m -59.41 -27.44 66.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.992 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.42 ' HA ' ' HB1' ' B' ' 80' ' ' ALA . 27.6 m -130.39 -11.25 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.468 -179.82 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 1.59 HD21 ' CD1' ' B' ' 48' ' ' LEU . 15.6 mt -113.35 112.34 23.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.868 0.366 . . . . 0.0 110.766 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -74.64 138.86 43.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.085 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.598 179.915 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 47.6 t -76.4 134.6 39.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.981 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 60.7 m -143.14 115.95 8.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.953 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -112.29 112.84 24.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.061 -179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.515 ' HG2' HG13 ' B' ' 25' ' ' VAL . 72.4 mtm180 -105.2 133.55 49.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -144.93 155.02 43.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.909 0.385 . . . . 0.0 111.297 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.556 ' HD3' ' HG2' ' B' ' 23' ' ' GLU . 9.8 tpt180 -137.04 140.89 42.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.505 179.615 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 1.59 ' CG1' HG22 ' B' ' 78' ' ' VAL . 9.1 t -96.71 110.05 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.561 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.28 -3.87 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.76 -179.399 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.42 ' HB1' ' HA ' ' B' ' 47' ' ' VAL . . . -130.38 150.87 51.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.107 0.479 . . . . 0.0 111.462 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.709 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 17.1 p -89.71 163.0 15.29 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.812 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 134.43 163.41 10.23 Favored Glycine 0 C--N 1.317 -0.489 0 CA-C-N 115.243 -0.89 . . . . 0.0 112.361 -179.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . 0.445 ' HA ' ' HG3' ' B' ' 109' ' ' GLN . 1.9 p-10 -95.16 120.78 35.97 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.864 0.364 . . . . 0.0 110.962 179.862 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -143.27 179.13 7.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -158.22 107.67 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.636 -179.701 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.43 ' HA ' ' O ' ' B' ' 42' ' ' ASN . 59.8 tp -55.28 148.51 14.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.603 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.602 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 28.0 mt-10 -147.21 128.05 14.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.081 0.467 . . . . 0.0 111.946 -179.003 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.503 ' HB2' ' HB3' ' B' ' 104' ' ' PHE . 5.2 mp -144.69 154.61 42.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.334 178.772 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 22.6 m -141.16 168.25 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 179.805 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 90' ' ' TYR . . . . . 0.44 ' CB ' ' HB2' ' B' ' 102' ' ' GLU . 30.7 t80 -112.85 84.87 2.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.606 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.428 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 16.2 ptp180 -144.8 169.25 18.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.757 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.583 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 82.2 mtt180 -66.5 140.15 96.44 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.132 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 93' ' ' PRO . . . . . 0.582 ' HG3' ' HB2' ' B' ' 37' ' ' ARG . 3.9 Cg_exo -79.91 20.24 0.92 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.141 2.561 . . . . 0.0 114.954 -177.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 94' ' ' TRP . . . . . 0.435 ' CZ3' ' HG2' ' B' ' 95' ' ' GLU . 34.0 p-90 -127.07 -12.13 5.84 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.12 0.486 . . . . 0.0 109.944 179.253 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . 0.583 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 36.7 mt-10 -73.72 -45.2 53.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.027 -179.832 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 49.8 mttm 69.01 -9.88 0.55 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.483 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . 0.464 ' H ' ' C ' ' B' ' 95' ' ' GLU . 16.8 t70 -176.88 94.46 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -153.65 -174.46 4.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.189 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -92.67 109.47 38.99 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.78 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . 0.428 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 4.0 Cg_endo -84.53 174.19 7.98 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.8 2.333 . . . . 0.0 112.288 -179.799 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -98.61 -37.5 9.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.79 179.782 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.44 ' HB2' ' CB ' ' B' ' 90' ' ' TYR . 23.1 mt-10 -116.07 -170.39 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.656 179.666 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.9 p -170.29 161.71 8.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.785 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . 0.503 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 3.2 t80 -154.12 147.62 25.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.749 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 81.3 p -169.55 117.91 0.62 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.802 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 106' ' ' CYS . . . . . 0.411 ' HB2' ' HB3' ' B' ' 86' ' ' LEU . 55.9 m -114.6 143.52 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.572 -179.717 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.471 ' C ' ' HA ' ' B' ' 16' ' ' LEU . . . -93.02 129.97 38.76 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.542 179.51 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 50.9 mt -149.08 107.25 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.293 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . 0.601 ' O ' ' HA ' ' B' ' 17' ' ' LYS . 29.1 tt0 -125.19 96.72 4.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.351 178.154 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 1.593 ' CG1' HG22 ' B' ' 110' ' ' VAL . 44.6 t -60.02 -95.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.471 -179.031 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.507 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 39.1 mmt180 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 121.215 0.531 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.432 HG21 ' O ' ' B' ' 25' ' ' VAL . 1.7 m -72.6 162.48 29.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.501 -179.427 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 42.1 mt -122.65 -171.59 2.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.949 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -167.65 -28.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -119.61 161.59 20.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.757 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.83 -34.06 11.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.564 -179.723 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.71 -18.95 65.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.064 -179.818 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -84.79 -8.24 58.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.006 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 52.8 m -87.34 155.55 20.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.319 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 30.4 m -164.63 158.85 15.33 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.425 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -60.09 79.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.374 2.049 . . . . 0.0 111.797 179.367 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 60.4 tp -98.69 150.95 21.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.465 -179.306 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -93.84 142.82 26.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.842 179.346 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.629 ' HB2' HG11 ' B' ' 110' ' ' VAL . 11.0 mp -118.33 -168.02 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.843 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 51.2 m -142.02 133.76 27.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.547 HE21 ' HA ' ' B' ' 80' ' ' ALA . 76.6 mt-30 -56.03 109.36 0.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.681 179.871 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.45 -33.13 1.7 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.679 -179.828 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -86.47 -169.5 2.67 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.619 0.247 . . . . 0.0 110.479 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.533 ' HB3' ' HD3' ' B' ' 77' ' ' ARG . 10.5 pt-20 -156.52 -176.28 5.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.134 0.492 . . . . 0.0 111.589 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 35.1 tp -147.97 149.86 32.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.631 179.469 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 1.598 ' CG1' HG22 ' B' ' 25' ' ' VAL . 73.6 t -134.91 148.08 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.729 179.655 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 1.571 ' CD1' HD22 ' B' ' 26' ' ' LEU . 90.5 mt -128.21 137.73 52.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.071 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.6 m -139.7 122.28 16.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.3 mt -137.67 148.15 60.0 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.08 131.79 43.49 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.553 2.169 . . . . 0.0 112.429 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 81.6 p -168.56 114.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.794 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -98.95 142.93 25.45 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -78.01 1.62 8.74 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.639 2.226 . . . . 0.0 112.48 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 78.6 p -100.4 4.03 43.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.273 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 73.0 p -102.09 -64.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.209 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.29 -35.79 2.44 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.066 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -76.03 97.97 4.18 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.929 0.395 . . . . 0.0 111.078 179.757 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -92.0 -153.74 0.35 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.177 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -126.08 107.13 10.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.332 . . . . 0.0 111.062 179.797 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -83.56 124.76 31.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.694 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.08 123.23 21.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 -179.728 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -102.36 -40.59 6.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.666 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.574 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 8.4 t30 -154.5 92.34 2.96 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.777 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.82 9.17 2.78 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.547 2.165 . . . . 0.0 112.654 -179.72 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.23 25.22 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.99 -11.17 5.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 -179.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 53.4 m -64.58 -32.21 73.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.436 HG22 ' HG ' ' B' ' 48' ' ' LEU . 28.3 m -123.28 -45.84 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.497 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 1.599 HD12 ' CD2' ' B' ' 48' ' ' LEU . 14.0 mt -81.84 144.73 30.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 110.182 179.846 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.59 ' HZ2' ' HB3' ' B' ' 49' ' ' LYS . 5.6 ttpm? -86.64 127.74 34.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.844 -179.706 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.293 -179.7 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.834 0.349 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 47.7 t -94.68 114.65 26.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.784 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 71.6 m -129.5 109.57 11.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.83 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -101.62 144.53 30.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -136.11 130.25 33.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.2 -179.818 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -137.63 120.21 16.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.609 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.533 ' HD3' ' HB3' ' B' ' 23' ' ' GLU . 10.2 tpp180 -94.99 124.08 38.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 1.594 ' CG2' HG12 ' B' ' 78' ' ' VAL . 21.4 t -61.7 127.68 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.768 179.841 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -119.98 -36.69 3.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.804 -179.412 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.547 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -141.32 174.3 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.949 0.404 . . . . 0.0 111.496 -179.86 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.655 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 8.6 p -84.35 -169.77 2.77 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.176 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.95 157.65 11.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.543 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -88.5 152.49 21.84 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.646 0.26 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.43 ' OD2' ' HB ' ' B' ' 108' ' ' ILE . 10.0 p-10 -167.43 -175.72 2.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -166.13 106.05 0.68 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.742 -179.827 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 1.603 HD11 ' CD2' ' B' ' 86' ' ' LEU . 13.2 mt -59.53 137.94 57.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.034 0.445 . . . . 0.0 111.043 -179.696 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.574 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 12.2 mt-10 -137.91 113.44 9.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.78 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.409 ' N ' HD13 ' B' ' 88' ' ' LEU . 5.2 mp -128.05 117.1 21.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.898 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 1.611 ' CG1' HG22 ' B' ' 89' ' ' VAL . 10.0 p -104.73 160.12 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.74 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 90' ' ' TYR . . . . . 0.532 ' HB2' ' HB2' ' B' ' 102' ' ' GLU . 0.3 OUTLIER -74.08 -88.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.248 179.867 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.497 ' HG3' ' HA ' ' B' ' 100' ' ' PRO . 7.3 mtm180 48.48 -165.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.956 0.408 . . . . 0.0 111.602 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -124.98 151.3 68.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.427 179.651 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.5 -15.45 49.7 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.722 2.281 . . . . 0.0 113.291 -179.403 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 94' ' ' TRP . . . . . . . . . . . . . 38.8 p90 -111.42 24.31 12.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.757 0.313 . . . . 0.0 111.597 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -123.14 106.53 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.078 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -84.75 102.56 13.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.687 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 56.42 82.75 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.041 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.83 172.13 13.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -57.94 109.64 1.94 Allowed Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . 0.497 ' HA ' ' HG3' ' B' ' 91' ' ' ARG . 5.1 Cg_exo -80.46 160.96 22.53 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.083 2.522 . . . . 0.0 112.552 -179.677 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . 0.459 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -99.84 -69.28 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.701 179.598 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.532 ' HB2' ' HB2' ' B' ' 90' ' ' TYR . 19.7 mt-10 -97.26 -174.7 3.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.789 179.492 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 42.9 t -167.15 174.68 8.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -172.57 122.55 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.777 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 87.6 p -132.06 118.58 19.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.624 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 29.6 t -123.71 129.29 50.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.187 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -79.0 139.54 38.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.699 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . 0.503 HD13 ' HG ' ' B' ' 86' ' ' LEU . 65.6 mt -146.7 135.24 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.267 -179.367 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -141.59 149.95 41.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.312 179.264 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 1.601 ' CG2' HG12 ' B' ' 110' ' ' VAL . 11.6 t -137.14 153.47 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.908 0.385 . . . . 0.0 111.263 -179.779 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.58 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 19.2 tpt180 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.786 179.466 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 1.593 HG11 ' CG2' ' B' ' 5' ' ' VAL . 39.7 t . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 121.071 0.462 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.1 m -80.09 163.76 23.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.002 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.484 HD11 HD13 ' B' ' 24' ' ' LEU . 11.7 mt -134.52 -176.59 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.166 0.508 . . . . 0.0 111.311 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -169.65 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.289 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -148.59 157.44 43.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.352 179.509 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.6 98.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.196 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -142.92 -63.83 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.005 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.22 -69.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 -179.745 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.489 ' HB2' ' HB3' ' B' ' 106' ' ' CYS . 0.8 OUTLIER -75.16 123.59 25.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.063 -179.93 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.619 ' H ' ' HD2' ' B' ' 15' ' ' PRO . 7.4 p 179.48 -41.23 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.855 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . 0.619 ' HD2' ' H ' ' B' ' 14' ' ' SER . 88.1 Cg_endo -82.03 17.24 1.58 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.047 1.831 . . . . 0.0 113.164 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.687 ' HG ' ' HB3' ' B' ' 107' ' ' ALA . 3.8 mp 60.44 -83.4 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.366 0.603 . . . . 0.0 111.275 179.642 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' B' ' 16' ' ' LEU . 52.8 mtpt -25.83 118.15 0.07 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.103 -1.408 . . . . 0.0 112.102 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 tp -149.07 -159.62 1.06 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.298 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -155.74 153.36 29.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.402 ' HG3' HG23 ' B' ' 110' ' ' VAL . 97.9 mt-30 -62.12 166.88 4.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.25 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.39 -22.69 5.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.423 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . 0.48 ' O ' HG12 ' B' ' 78' ' ' VAL . 0.0 OUTLIER -71.24 112.19 7.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.87 0.367 . . . . 0.0 111.395 -179.8 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.404 ' HB3' ' HG2' ' B' ' 77' ' ' ARG . 0.2 OUTLIER -101.66 159.52 15.24 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.793 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 1.596 HD23 ' CD1' ' B' ' 24' ' ' LEU . 5.0 tt -153.75 138.96 17.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.156 0.503 . . . . 0.0 111.803 -179.23 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.511 ' HA ' ' O ' ' B' ' 74' ' ' TRP . 61.5 t -117.0 119.66 62.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.383 179.307 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 1.603 HD11 ' CD2' ' B' ' 26' ' ' LEU . 65.1 mt -97.88 170.21 9.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.149 0.5 . . . . 0.0 111.699 -179.151 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 86.2 m -135.54 94.45 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.219 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 1.604 HD12 ' CD2' ' B' ' 28' ' ' LEU . 6.3 mt -146.33 -53.18 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.726 ' HD2' ' H ' ' B' ' 28' ' ' LEU . 27.4 Cg_exo -30.83 137.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 123.201 2.601 . . . . 0.0 113.505 -179.257 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.7 t -145.56 122.01 11.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.855 -179.541 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . 0.427 ' N ' ' HD3' ' B' ' 32' ' ' PRO . 0.6 OUTLIER -136.63 50.93 4.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.398 179.686 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' B' ' 31' ' ' ASN . 92.3 Cg_endo -81.7 105.95 1.6 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.557 2.171 . . . . 0.0 111.602 179.392 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 4.8 m 63.32 9.15 3.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.171 0.51 . . . . 0.0 110.035 -178.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 58.1 p 57.19 163.48 0.03 OUTLIER 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.023 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.87 -28.72 4.58 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.698 -179.475 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -140.78 118.86 11.93 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.846 0.355 . . . . 0.0 110.372 179.587 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -125.29 -164.28 1.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.061 -179.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -121.38 153.96 37.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.36 179.204 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -127.47 138.45 52.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.868 0.366 . . . . 0.0 111.128 -179.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.461 HD11 ' HB3' ' B' ' 43' ' ' PRO . 91.4 mt -94.9 104.73 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.784 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.5 ' HB2' ' HB3' ' B' ' 87' ' ' GLU . 31.2 mmm180 -76.39 -18.41 58.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.58 179.788 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.448 ' O ' ' HA ' ' B' ' 86' ' ' LEU . 4.5 t30 -175.19 86.88 0.31 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.57 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.461 ' HB3' HD11 ' B' ' 40' ' ' LEU . 67.3 Cg_endo -73.41 4.49 3.87 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.578 2.186 . . . . 0.0 112.711 -179.726 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.89 22.46 5.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.923 -179.715 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.77 -11.18 2.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 -179.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -62.23 -31.5 72.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.041 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.409 HG21 HD12 ' B' ' 48' ' ' LEU . 35.8 m -127.69 -9.17 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.682 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 1.605 HD13 ' CD2' ' B' ' 48' ' ' LEU . 13.8 mt -112.63 148.63 34.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -103.33 143.27 32.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 -179.788 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.639 179.708 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.926 0.393 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.3 m 53.66 84.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.342 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 73' ' ' THR . . . . . 0.567 ' H ' ' HG2' ' B' ' 29' ' ' PRO . 82.2 m -159.85 131.75 6.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.464 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.636 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 9.7 m95 -137.68 141.03 41.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.438 179.225 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -122.71 112.32 17.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.849 0.357 . . . . 0.0 111.223 -179.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -132.75 114.98 14.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.422 ' HD2' ' N ' ' B' ' 78' ' ' VAL . 2.9 tmm_? -116.88 129.13 55.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.379 179.685 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 1.587 HG11 ' CG2' ' B' ' 78' ' ' VAL . 18.3 t -71.12 126.19 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.264 -179.637 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -130.74 -9.33 3.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.647 -179.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -139.75 154.35 47.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.936 0.398 . . . . 0.0 111.332 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.597 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 10.9 p -89.16 165.4 14.5 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 134.59 170.1 12.14 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.586 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -99.28 127.33 45.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.339 . . . . 0.0 111.058 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -149.87 175.88 11.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -149.75 111.77 4.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.784 -179.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' B' ' 42' ' ' ASN . 58.1 tp -63.52 152.0 39.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.963 0.411 . . . . 0.0 111.007 -179.694 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.5 ' HB3' ' HB2' ' B' ' 41' ' ' ARG . 67.5 mm-40 -151.68 134.23 15.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.337 -179.159 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 mp -146.26 145.54 30.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.057 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.419 HG21 ' HG2' ' B' ' 91' ' ' ARG . 28.2 m -144.63 150.76 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.618 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 90' ' ' TYR . . . . . 0.576 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 15.4 t80 -94.61 101.57 13.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.977 0.418 . . . . 0.0 111.299 -179.409 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.419 ' HG2' HG21 ' B' ' 89' ' ' VAL . 37.8 ptt180 -169.17 154.23 5.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.569 179.8 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.612 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 80.0 mtt180 -58.8 145.43 78.55 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.517 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 93' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 5.2 Cg_exo -76.95 -25.01 9.35 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.129 2.553 . . . . 0.0 114.014 -178.676 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 94' ' ' TRP . . . . . 0.449 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 28.5 p90 -93.83 14.99 17.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.913 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . 0.612 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 38.6 mt-10 -92.17 131.16 37.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 179.622 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -88.89 97.03 10.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 56.4 89.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.06 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.09 143.85 38.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.09 115.89 33.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.47 146.85 28.01 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.511 2.141 . . . . 0.0 112.363 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . 0.447 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -65.7 -59.5 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.606 179.738 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.576 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 19.6 mt-10 -99.43 -175.54 3.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.727 179.549 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 38.4 t -165.32 162.83 19.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -168.59 157.82 8.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.763 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 97.2 p -168.75 151.64 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.006 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 106' ' ' CYS . . . . . 0.489 ' HB3' ' HB2' ' B' ' 13' ' ' CYS . 1.5 m -145.11 164.17 32.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.264 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.687 ' HB3' ' HG ' ' B' ' 16' ' ' LEU . . . -113.98 131.98 56.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.009 -179.567 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 31.3 mt -143.72 111.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.416 . . . . 0.0 111.577 -179.778 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -135.8 98.19 3.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.185 179.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 1.604 HG21 ' CG1' ' B' ' 110' ' ' VAL . 32.7 t -60.99 -93.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.476 -179.103 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.507 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 40.7 mmt180 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.019 179.696 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 1.584 HG13 ' CG2' ' B' ' 5' ' ' VAL . 40.6 t . . . . . 0 N--CA 1.461 0.09 0 CA-C-O 120.789 0.328 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.87 153.67 25.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.209 -179.535 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 1.606 ' CD2' HD13 ' B' ' 7' ' ' LEU . 64.1 tp -140.27 150.79 44.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.669 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -142.71 -32.18 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.004 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -89.87 178.86 6.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.88 -21.26 4.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.159 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -78.54 -16.83 57.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -86.12 10.31 14.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 36.1 m -93.65 152.32 19.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.928 0.394 . . . . 0.0 111.325 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 16.6 t -174.05 150.18 1.57 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.269 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -55.97 86.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.187 1.924 . . . . 0.0 111.825 179.555 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.403 HD11 ' H ' ' B' ' 17' ' ' LYS . 59.2 tp -100.57 152.25 20.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.49 -179.342 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.403 ' H ' HD11 ' B' ' 16' ' ' LEU . 19.5 mttp -101.79 94.18 5.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.677 179.482 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 1.608 ' CD1' HD21 ' B' ' 18' ' ' LEU . 10.1 mp -67.66 -168.41 0.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 29.8 m -136.3 145.32 45.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.413 HE21 ' HA ' ' B' ' 80' ' ' ALA . 85.3 mt-30 -73.92 98.48 3.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.89 -19.42 0.66 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.41 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -99.32 -168.64 1.64 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.74 0.305 . . . . 0.0 110.737 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.573 ' HG2' ' HG2' ' B' ' 77' ' ' ARG . 25.2 mt-10 -145.94 -158.05 0.86 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.871 0.367 . . . . 0.0 111.217 -179.813 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 1.607 HD11 ' CD2' ' B' ' 24' ' ' LEU . 8.4 tt -177.98 139.52 0.22 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.585 179.007 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 1.609 ' CG1' HG21 ' B' ' 25' ' ' VAL . 69.0 t -132.78 141.66 44.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.433 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 63.4 tp -118.43 138.73 52.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.708 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 63.7 m -136.21 113.74 10.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.304 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -144.73 150.93 48.45 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.793 179.838 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.498 ' HA ' ' HA ' ' B' ' 71' ' ' GLU . 52.1 Cg_exo -54.79 132.71 53.39 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.618 2.212 . . . . 0.0 112.028 179.885 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 51.0 p -142.63 -28.52 0.58 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.655 -179.595 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 31' ' ' ASN . . . . . 0.611 ' N ' ' HD3' ' B' ' 32' ' ' PRO . 85.2 m-20 -130.92 44.77 1.48 Allowed Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.69 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . 0.611 ' HD3' ' N ' ' B' ' 31' ' ' ASN . 34.5 Cg_exo -56.76 -39.0 94.49 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.02 1.813 . . . . 0.0 111.088 178.685 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 64.9 p -143.6 10.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.353 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 32.2 p 60.1 150.46 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.917 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.19 -18.89 6.48 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.12 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -143.11 115.23 8.36 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.71 0.29 . . . . 0.0 110.836 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -107.96 -167.14 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.973 0.416 . . . . 0.0 111.463 179.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -114.38 158.06 22.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.824 179.466 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -128.65 117.35 21.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.493 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.446 HD12 ' HB3' ' B' ' 43' ' ' PRO . 96.1 mt -75.67 96.21 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.703 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -80.08 -14.59 58.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.09 179.35 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.584 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 54.2 t-20 -171.3 81.04 0.51 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 43' ' ' PRO . . . . . 0.446 ' HB3' HD12 ' B' ' 40' ' ' LEU . 61.3 Cg_endo -72.47 12.22 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.674 2.249 . . . . 0.0 112.717 -179.671 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.484 ' HA ' ' OD1' ' B' ' 84' ' ' ASP . . . 56.74 22.59 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.19 -8.59 5.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -70.83 -31.12 67.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.094 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.482 HG22 ' HG ' ' B' ' 48' ' ' LEU . 26.1 m -123.18 -44.94 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.66 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 1.564 HD12 ' CD2' ' B' ' 48' ' ' LEU . 17.3 mt -88.69 120.11 29.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.973 0.416 . . . . 0.0 110.728 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.497 ' HB2' ' HB3' ' B' ' 79' ' ' ALA . 75.9 tttt -58.72 148.89 27.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.076 -179.852 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.498 ' HA ' ' HA ' ' B' ' 29' ' ' PRO . 47.1 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.812 0.339 . . . . 0.0 110.79 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 39.2 t -137.55 172.19 13.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.752 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 62.0 m -151.64 114.48 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.21 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 11.6 m-90 -115.94 117.72 30.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.688 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -101.9 137.83 39.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -141.22 134.44 29.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 77' ' ' ARG . . . . . 0.573 ' HG2' ' HG2' ' B' ' 23' ' ' GLU . 4.2 tmt_? -118.52 132.02 56.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.233 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 1.606 HG11 ' CG2' ' B' ' 78' ' ' VAL . 21.6 t -71.05 115.29 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.169 -179.425 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.497 ' HB3' ' HB2' ' B' ' 49' ' ' LYS . . . -105.1 -23.98 12.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.996 -179.37 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.413 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -160.63 179.33 8.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.135 0.493 . . . . 0.0 111.698 -179.753 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.667 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 5.9 p -85.19 -168.78 2.35 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.013 -179.847 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.71 156.2 11.32 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.562 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -95.15 146.67 24.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.762 0.315 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.484 ' OD1' ' HA ' ' B' ' 44' ' ' ALA . 6.0 t70 -165.6 -178.53 4.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.787 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -156.33 113.95 3.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.947 -179.782 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 1.601 HD13 ' CD2' ' B' ' 86' ' ' LEU . 3.6 mt -62.02 139.07 58.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.826 179.724 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.584 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 27.4 mt-10 -139.02 116.51 11.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.057 -179.571 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.554 HD12 HD11 ' B' ' 86' ' ' LEU . 5.3 mp -132.66 120.96 22.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.747 179.749 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 23.0 m -116.09 139.29 43.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.141 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 90' ' ' TYR . . . . . 0.456 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 6.2 t80 -86.6 109.55 19.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.016 -179.469 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.444 ' NH2' ' H ' ' B' ' 98' ' ' ALA . 13.4 ptm180 -167.82 157.2 9.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 92' ' ' ARG . . . . . 0.532 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 99.4 mtt180 -64.61 125.19 88.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.521 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 93' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 24.5 Cg_exo -63.87 -26.72 67.19 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.779 2.319 . . . . 0.0 113.215 -179.165 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 94' ' ' TRP . . . . . 0.433 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 13.3 p90 -81.05 18.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.571 0.224 . . . . 0.0 111.484 -179.472 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 95' ' ' GLU . . . . . 0.532 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 46.5 mt-10 -97.25 171.74 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 111.051 179.69 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 96' ' ' LYS . . . . . 0.459 ' HG3' ' OD1' ' B' ' 97' ' ' ASP . 52.7 tptt -128.31 95.76 4.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 97' ' ' ASP . . . . . 0.459 ' OD1' ' HG3' ' B' ' 96' ' ' LYS . 3.0 p30 41.37 86.15 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.607 -179.479 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . 0.444 ' H ' ' NH2' ' B' ' 91' ' ' ARG . . . -139.79 -178.3 5.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.817 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -84.04 132.42 48.24 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.085 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 100' ' ' PRO . . . . . 0.413 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 88.2 Cg_endo -94.77 176.31 1.04 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.215 2.61 . . . . 0.0 112.673 -179.703 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.09 -60.84 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.737 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.456 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 22.4 mt-10 -99.64 -173.6 2.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.566 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 79.0 p -166.32 151.25 8.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.606 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -147.6 134.94 20.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.008 0.432 . . . . 0.0 111.191 -179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 77.5 p -148.69 104.89 3.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.582 179.691 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 8.3 t -114.44 136.05 53.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.094 -179.565 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.51 134.32 34.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . 0.593 HG23 HD22 ' B' ' 48' ' ' LEU . 63.4 mt -144.77 124.27 6.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 -179.389 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -135.75 153.0 51.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.519 179.464 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . 1.608 HG13 ' CG2' ' B' ' 110' ' ' VAL . 18.8 t -142.55 153.56 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.373 . . . . 0.0 111.169 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 111' ' ' ARG . . . . . 0.582 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 22.4 tpt180 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.838 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 50.0 tpp . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.746 0.308 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -148.95 -3.74 0.3 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.444 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 54.8 m -73.82 117.02 15.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.762 0.315 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 47.7 t -101.98 -14.65 17.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 58.34 -171.73 0.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -122.54 173.79 7.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 66.1 m80 58.37 -172.61 0.1 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.049 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -127.5 147.93 50.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -103.49 162.05 13.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.956 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -78.15 119.11 21.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.6 p -147.05 -21.82 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 80.2 p -93.4 -39.59 10.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.965 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 65.34 74.16 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -7' ' ' LEU . . . . . 1.605 ' CD1' HD23 ' B' ' -7' ' ' LEU . 73.6 mt -99.45 -2.17 36.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.789 0.328 . . . . 0.0 110.986 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . 1.603 HG13 ' CG2' ' B' ' -6' ' ' VAL . 17.5 m -105.49 148.02 35.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.207 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.26 124.24 14.78 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.471 2.114 . . . . 0.0 112.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -4' ' ' ARG . . . . . 0.475 ' HE ' ' HA ' ' B' ' -4' ' ' ARG . 3.3 mmp_? -122.53 -1.01 9.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.037 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -119.9 31.01 5.49 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.53 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 49.3 m -144.38 152.87 41.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.791 0.329 . . . . 0.0 110.937 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -131.39 127.51 37.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 26.1 mmt -93.75 128.42 39.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . 0.4 ' HB3' ' HD3' ' B' ' 2' ' ' LYS . 65.0 tt0 -149.99 -34.49 0.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.808 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.518 ' N ' ' HD3' ' B' ' 2' ' ' LYS . 1.9 mppt? -95.23 159.47 32.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.701 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.449 ' HD2' HE21 ' B' ' 22' ' ' GLN . 13.8 Cg_exo -66.56 -52.76 0.7 Allowed 'Trans proline' 0 CA--C 1.512 -0.604 0 C-N-CA 123.175 2.584 . . . . 0.0 111.503 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.489 ' O ' HG21 ' B' ' 5' ' ' VAL . 8.6 m -141.2 -45.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 114.072 -1.422 . . . . 0.0 110.963 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 1.597 HG23 ' CG1' ' B' ' 5' ' ' VAL . 0.3 OUTLIER 52.16 8.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 179.56 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.462 HG22 ' O ' ' B' ' 25' ' ' VAL . 0.3 OUTLIER -160.54 158.02 28.43 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.261 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 1.608 ' CD2' HD11 ' B' ' 7' ' ' LEU . 61.2 tp -165.05 110.19 0.92 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.744 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.477 ' HA ' HD23 ' B' ' 28' ' ' LEU . 4.5 p30 -120.0 -41.07 2.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -64.19 143.53 57.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.48 13.15 30.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -95.11 -38.43 10.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' B' ' 14' ' ' SER . 9.4 m-20 -84.83 45.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.512 ' HB3' ' HA ' ' B' ' 106' ' ' CYS . 94.8 m -75.6 12.8 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.42 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 44.3 m -59.68 160.85 12.95 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.553 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 29.8 Cg_endo -63.59 75.89 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.272 1.981 . . . . 0.0 111.577 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.421 HD23 HG23 ' B' ' 4' ' ' VAL . 51.4 tp -61.8 130.4 45.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.278 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -83.36 138.65 33.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.799 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.494 ' HB2' HG11 ' B' ' 110' ' ' VAL . 7.9 mp -123.5 -174.23 2.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.004 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 43.6 m -155.58 137.35 14.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.84 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -60.71 100.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 133.68 23.54 0.71 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.72 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.449 HE21 ' HD2' ' B' ' 3' ' ' PRO . 0.0 OUTLIER -130.44 133.77 46.59 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.733 179.809 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.71 -179.58 3.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.405 0.621 . . . . 0.0 111.795 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.528 ' HB3' ' HB2' ' B' ' 76' ' ' PHE . 28.5 tp -161.49 81.77 0.6 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.685 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.519 HG11 ' HG2' ' B' ' 75' ' ' ARG . 18.5 t -95.12 87.63 2.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.03 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 1.596 HD12 ' CD2' ' B' ' 26' ' ' LEU . 76.0 mt -57.53 160.58 4.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.253 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 62.5 m -152.6 108.61 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.76 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' B' ' 8' ' ' ASP . 78.2 mt -131.42 148.29 69.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.99 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.05 137.89 22.19 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.47 2.113 . . . . 0.0 112.353 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 75.9 p -159.76 159.17 32.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -125.5 102.23 29.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.51 2.42 5.18 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.504 2.136 . . . . 0.0 112.39 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 7.6 t -91.78 -6.2 52.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 62.3 p -101.0 -66.27 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.333 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.21 -28.52 1.68 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.04 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -84.29 105.15 14.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.907 0.384 . . . . 0.0 110.88 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.447 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 6.9 mpt_? -103.16 -163.2 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.017 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.447 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 92.0 m95 -109.54 107.9 18.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.639 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.0 133.37 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.982 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 1.602 HD13 ' CD2' ' B' ' 40' ' ' LEU . 54.6 tp -89.98 109.57 20.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.674 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -93.99 -73.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.081 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.536 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 49.5 t-20 -109.61 92.42 12.06 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.541 ' HB3' HD13 ' B' ' 40' ' ' LEU . 91.9 Cg_endo -79.59 13.61 2.05 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.533 2.155 . . . . 0.0 112.661 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.58 28.62 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.987 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.63 -8.53 2.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.42 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -63.67 -34.57 78.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.207 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 33.6 m -127.87 -36.88 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.562 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 1.597 HD21 ' CD1' ' B' ' 48' ' ' LEU . 12.6 mt -88.71 133.96 34.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.829 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -101.66 138.61 38.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.016 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -87.11 148.2 25.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 1.597 ' CD2' HD11 ' B' ' 51' ' ' LEU . 80.4 mt -75.56 -67.07 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -168.24 161.79 35.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.574 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.32 -35.24 85.2 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.662 2.242 . . . . 0.0 112.342 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -63.82 113.08 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -133.3 11.88 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -116.74 125.44 51.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 56.0 m -76.46 132.7 39.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -77.7 -35.12 52.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 54.3 m -88.49 -178.73 5.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -141.3 119.59 12.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -118.59 -65.07 1.21 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.834 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -94.77 10.44 35.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 77.9 p 49.11 91.83 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.447 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.23 72.57 2.61 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.114 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 63.7 mt -139.58 98.53 3.51 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.176 0.512 . . . . 0.0 110.734 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.7 p -77.05 -23.5 14.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.59 36.03 0.47 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.513 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 72.5 p -155.13 1.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.07 -133.14 11.57 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.423 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.33 165.58 46.38 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.336 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -143.92 175.21 10.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.359 . . . . 0.0 110.78 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 81.3 p -95.12 128.91 42.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 67.2 m -141.85 110.6 6.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.971 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 13.8 m-90 -108.87 113.29 26.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.519 ' HG2' HG11 ' B' ' 25' ' ' VAL . 96.4 mtt180 -100.29 115.76 30.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.528 ' HB2' ' HB3' ' B' ' 24' ' ' LEU . 80.3 m-85 -117.91 166.47 12.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -147.98 133.31 18.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.56 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 1.586 HG13 ' CG2' ' B' ' 78' ' ' VAL . 48.2 t -79.44 141.34 15.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.347 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -131.58 -41.79 1.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.178 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -131.66 166.82 20.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.669 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 73.0 m -93.7 -170.18 2.28 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.162 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.23 161.47 11.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.446 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -81.44 153.4 26.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.771 0.319 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -171.16 178.53 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -150.82 132.35 14.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.443 ' HG ' HD12 ' B' ' 88' ' ' LEU . 10.5 tp -92.31 136.82 32.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.588 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.536 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 10.6 mt-10 -138.01 123.97 20.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.952 0.406 . . . . 0.0 111.412 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.443 HD12 ' HG ' ' B' ' 86' ' ' LEU . 5.0 mp -140.64 133.17 28.6 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.506 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 28.1 m -116.44 167.96 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.196 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -111.62 101.15 9.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.487 ' HB3' ' HA ' ' B' ' 100' ' ' PRO . 37.7 ptt180 -166.34 173.34 10.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.479 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 99.3 mtt180 -66.42 118.83 57.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.528 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -61.61 -25.16 78.89 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.759 2.306 . . . . 0.0 113.124 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' TRP . . . . . 0.424 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 13.7 p90 -81.35 4.84 19.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.672 0.272 . . . . 0.0 111.517 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.479 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 39.7 mt-10 -100.11 -179.17 4.06 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -143.54 115.26 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.048 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 56.49 26.6 11.09 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.7 -172.85 0.29 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -101.13 99.98 12.11 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . 0.487 ' HA ' ' HB3' ' B' ' 91' ' ' ARG . 73.6 Cg_endo -76.11 138.46 20.47 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.486 2.124 . . . . 0.0 112.616 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.48 -61.44 1.83 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.771 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -96.61 -174.16 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.54 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 44.9 t -163.67 172.22 14.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.286 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -169.09 141.25 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 78.6 p -173.07 111.31 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 111.068 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' CYS . . . . . 0.512 ' HA ' ' HB3' ' B' ' 13' ' ' CYS . 56.6 m -124.35 164.9 18.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.01 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.14 155.12 18.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.188 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 78.8 mt -147.16 140.97 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.633 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -147.24 121.89 9.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.645 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 1.605 HG21 ' CG1' ' B' ' 110' ' ' VAL . 17.1 t -103.89 154.13 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.024 0.44 . . . . 0.0 111.188 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.148 -0.929 . . . . 0.0 110.905 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.754 0.311 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 89.31 179.0 45.47 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.499 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 78.9 p -90.95 109.94 21.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.92 0.39 . . . . 0.0 110.822 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 79.2 p -162.73 146.94 11.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -93.74 129.3 40.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.764 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -121.26 130.87 53.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -85.26 130.56 34.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -142.86 -38.94 0.34 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.8 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -91.7 146.29 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -128.07 140.32 52.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.5 p -85.55 -16.79 38.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 53.2 m -85.77 159.51 19.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 119.95 -81.92 0.34 Allowed Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.52 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -7' ' ' LEU . . . . . 1.592 ' CD1' HD23 ' B' ' -7' ' ' LEU . 72.1 mt 58.14 -172.28 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.762 0.315 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 2.9 p -134.83 91.69 20.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.93 -175.73 0.31 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -4' ' ' ARG . . . . . 0.467 ' N ' ' HD3' ' B' ' -4' ' ' ARG . 0.0 OUTLIER -137.93 144.83 41.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -121.56 120.16 4.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.633 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 47.6 t -110.0 -59.15 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -154.5 -30.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.784 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 4.0 mpp? 59.0 99.51 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.215 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -148.48 112.06 5.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.869 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' B' ' 22' ' ' GLN . 70.7 mmtt -133.88 150.22 73.93 Favored Pre-proline 0 CA--C 1.518 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.564 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.466 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 77.9 Cg_exo -53.55 -29.44 49.94 Favored 'Trans proline' 0 CA--C 1.506 -0.888 0 C-N-CA 122.513 2.142 . . . . 0.0 109.906 178.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 1.581 HG11 ' CG2' ' B' ' 4' ' ' VAL . 6.1 t -156.14 77.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 113.839 -1.528 . . . . 0.0 110.487 178.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 1.607 ' CG1' HG22 ' B' ' 5' ' ' VAL . 98.6 t -55.16 103.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.692 0.282 . . . . 0.0 110.467 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -77.11 161.24 28.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.263 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 1.605 ' CD1' HD23 ' B' ' 7' ' ' LEU . 62.6 tp -151.49 147.41 26.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -145.15 -29.32 0.45 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -128.68 128.92 45.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.1 96.52 0.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -134.65 -55.9 0.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.975 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -76.91 -8.96 58.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.654 ' HB3' ' HA ' ' B' ' 106' ' ' CYS . 77.5 m -79.46 103.6 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.511 ' HB3' ' HD3' ' B' ' 15' ' ' PRO . 44.0 t -179.12 -49.15 0.0 OUTLIER Pre-proline 0 CA--C 1.531 0.246 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . 0.555 ' C ' HD11 ' B' ' 16' ' ' LEU . 95.0 Cg_endo -83.8 4.15 7.18 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.339 2.026 . . . . 0.0 113.968 -178.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 1.594 ' CD1' HD21 ' B' ' 16' ' ' LEU . 0.4 OUTLIER 39.53 19.8 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.535 ' HG2' ' HG2' ' B' ' 15' ' ' PRO . 43.6 pttt -78.85 105.08 9.91 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.508 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 1.6 ' CD2' HD11 ' B' ' 18' ' ' LEU . 1.7 mm? -126.83 -168.03 1.81 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.023 0.44 . . . . 0.0 111.852 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 82.6 m -165.76 142.92 5.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.83 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.567 ' HG2' HG21 ' B' ' 78' ' ' VAL . 94.7 mt-30 -66.29 131.05 45.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.825 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.49 ' HA3' ' NH2' ' B' ' 77' ' ' ARG . . . 117.85 18.44 5.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.482 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' B' ' 2' ' ' LYS . 18.2 mt-30 -131.33 145.99 52.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.699 0.285 . . . . 0.0 110.586 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.599 ' HG2' ' HB2' ' B' ' 77' ' ' ARG . 43.8 mt-10 -117.88 -175.64 2.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.139 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 1.603 HD22 ' CD1' ' B' ' 24' ' ' LEU . 7.2 tt -164.7 140.86 5.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.072 0.463 . . . . 0.0 111.457 179.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 1.602 ' CG2' HG13 ' B' ' 25' ' ' VAL . 58.5 t -134.35 94.27 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.545 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.1 tp -81.29 146.25 30.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.184 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.8 m -154.68 102.82 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 88.6 mt -106.37 148.84 37.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -79.51 132.69 10.15 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.589 2.192 . . . . 0.0 112.361 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.1 p -139.91 -179.86 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.908 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . 0.406 ' ND2' HG22 ' B' ' 34' ' ' THR . 51.6 t30 -141.28 96.45 7.1 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.791 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -58.31 -19.42 42.73 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.502 2.135 . . . . 0.0 112.268 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 55.9 m -59.79 -33.87 72.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.406 HG22 ' ND2' ' B' ' 31' ' ' ASN . 71.6 p -81.21 -63.65 1.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.219 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.13 -24.55 3.25 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.047 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -77.04 98.59 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.933 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.426 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -100.24 -160.25 0.79 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.037 179.286 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.426 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 90.3 m95 -114.9 130.79 56.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.809 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -111.98 141.84 45.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -92.05 104.69 17.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.987 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -84.73 -14.57 47.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.772 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.587 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 55.4 t-20 -169.32 85.87 0.62 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.721 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -78.08 11.69 2.25 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.584 2.189 . . . . 0.0 112.674 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' B' ' 46' ' ' SER . . . 55.18 35.88 25.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.29 11.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.564 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.455 ' H ' ' C ' ' B' ' 44' ' ' ALA . 42.9 t -92.94 -24.5 18.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.208 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 32.8 m -136.31 -35.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.717 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 1.596 HD21 ' CD1' ' B' ' 48' ' ' LEU . 85.4 mt -86.92 147.78 25.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.991 0.424 . . . . 0.0 111.182 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' B' ' 76' ' ' PHE . 0.3 OUTLIER -124.28 -162.15 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.391 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.488 ' HB2' ' HB3' ' B' ' 77' ' ' ARG . 6.9 mmt180 66.9 8.85 6.37 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.725 0.298 . . . . 0.0 111.159 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 1.59 HD12 ' CD2' ' B' ' 51' ' ' LEU . 0.2 OUTLIER -64.03 149.22 47.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.769 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.06 157.48 27.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.78 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -66.77 -165.72 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.785 2.323 . . . . 0.0 112.263 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.71 158.72 31.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 47.9 t -130.67 110.39 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.17 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -141.35 -68.55 0.39 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.837 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.5 t -163.32 -5.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -83.25 -26.95 30.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 53.5 m -92.94 -69.55 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.406 ' HG2' ' HA2' ' B' ' 64' ' ' GLY . 45.5 mt-10 58.87 98.8 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -89.43 -66.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -102.23 -29.59 11.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 40.7 t -163.79 -21.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.782 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.406 ' HA2' ' HG2' ' B' ' 60' ' ' GLU . . . 61.55 40.66 99.02 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.196 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 57.0 mt -138.84 97.48 3.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.165 0.507 . . . . 0.0 110.56 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 1.602 HG12 ' CG2' ' B' ' 66' ' ' VAL . 57.5 t -110.44 -28.47 2.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.963 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.09 -141.11 3.58 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.377 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 75.3 p -88.27 -25.33 22.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.339 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 130.67 47.05 0.14 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.558 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -169.65 41.15 0.21 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.585 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -141.04 111.32 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 45.1 t -73.69 166.87 22.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 65.9 m -144.44 125.35 14.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 111.168 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 7.9 m-90 -125.44 137.7 54.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.698 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.472 ' HG2' HG13 ' B' ' 25' ' ' VAL . 94.4 mtt180 -131.67 147.03 52.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.424 ' HA ' ' O ' ' B' ' 49' ' ' LYS . 1.1 m-85 -148.64 173.28 13.36 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.487 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.599 ' HB2' ' HG2' ' B' ' 23' ' ' GLU . 6.3 tpt180 -163.94 130.02 3.08 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.676 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 1.606 ' CG1' HG22 ' B' ' 78' ' ' VAL . 23.2 t -66.43 122.1 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.577 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.33 0.67 1.72 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.837 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -153.22 155.62 36.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.933 0.397 . . . . 0.0 111.586 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.689 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 12.1 p -87.86 164.09 16.07 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.877 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 131.2 161.94 10.41 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.677 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . 0.417 ' HA ' ' HG3' ' B' ' 109' ' ' GLN . 3.6 p30 -93.9 135.63 35.03 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.827 0.346 . . . . 0.0 111.039 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -152.58 179.66 8.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.107 0.48 . . . . 0.0 111.225 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -160.81 111.77 1.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.78 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 1.567 ' CD1' HD22 ' B' ' 86' ' ' LEU . 2.1 mt -62.04 140.27 58.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.742 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.587 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 29.0 mt-10 -138.85 116.35 11.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.221 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.572 HD12 HD13 ' B' ' 86' ' ' LEU . 5.0 mp -129.71 108.94 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.678 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 33.2 m -98.62 171.02 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 111.266 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' TYR . . . . . 0.454 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 37.0 t80 -122.0 101.98 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.93 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.417 ' HB3' ' HA ' ' B' ' 100' ' ' PRO . 39.3 ptt180 -164.47 177.06 8.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.487 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 98.9 mtt180 -65.15 123.11 83.15 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.633 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 3.0 Cg_exo -73.34 -11.49 24.78 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.89 2.393 . . . . 0.0 113.119 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' TRP . . . . . 0.487 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 34.5 p90 -99.32 15.16 27.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.35 . . . . 0.0 111.043 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -117.74 145.27 44.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.043 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -91.94 95.05 9.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.6 t70 57.51 95.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.41 171.25 14.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 39.6 mt-10 -68.4 112.77 12.02 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 99' ' ' GLU . 7.8 Cg_endo -88.61 139.24 3.97 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.148 2.566 . . . . 0.0 112.365 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . 0.441 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -69.58 -60.37 2.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.668 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.454 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 19.3 mt-10 -101.18 -175.52 2.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.673 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 33.7 t -166.04 161.45 17.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.946 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -159.01 150.1 20.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.823 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 79.9 p -163.88 147.81 10.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' CYS . . . . . 0.654 ' HA ' ' HB3' ' B' ' 13' ' ' CYS . 8.8 m -142.49 139.51 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.448 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.485 ' HB2' ' HB3' ' B' ' 16' ' ' LEU . . . -84.39 127.97 34.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.042 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . 0.484 HG22 HD23 ' B' ' 48' ' ' LEU . 25.4 mt -143.57 134.02 21.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.946 0.403 . . . . 0.0 111.513 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . 0.417 ' HG3' ' HA ' ' B' ' 83' ' ' ASP . 26.6 tt0 -160.52 144.72 14.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.873 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 1.604 HG23 ' CG1' ' B' ' 110' ' ' VAL . 5.1 t -118.0 164.88 13.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.685 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.565 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 5.2 mpt_? . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.179 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 57.9 ttp . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.838 0.352 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -163.26 159.79 32.35 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.51 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 54.4 m -96.98 -177.86 4.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.779 0.323 . . . . 0.0 110.94 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 40.7 t -75.9 169.3 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 63.1 m80 -64.68 148.72 50.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -102.61 -24.01 13.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.712 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -133.18 123.98 26.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.78 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -142.23 124.35 15.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.768 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -90.51 145.42 24.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 64.7 m80 -89.55 139.95 30.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 52.2 m -94.34 -29.46 15.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.2 t -144.43 -27.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 68.3 -150.82 51.31 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.451 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 55.0 tp -91.6 112.15 23.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.918 0.389 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . 1.601 HG11 ' CG2' ' B' ' -6' ' ' VAL . 93.4 t -130.17 105.55 16.4 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.967 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.64 137.78 66.77 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.513 2.142 . . . . 0.0 112.428 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -98.07 -54.73 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 143.64 137.97 3.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.54 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 47.1 t -89.05 138.78 31.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -101.2 143.35 31.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.44 ' HG3' ' HG2' ' B' ' 1' ' ' GLN . 49.7 tpp -137.88 158.7 43.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.66 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . 0.44 ' HG2' ' HG3' ' B' ' 0' ' ' MET . 8.0 mm100 61.77 102.13 0.03 OUTLIER 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.639 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.501 ' HB2' HG11 ' B' ' 5' ' ' VAL . 57.2 mtpt -118.97 143.69 34.33 Favored Pre-proline 0 CA--C 1.518 -0.269 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.429 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 51.7 Cg_exo -56.6 -23.88 50.96 Favored 'Trans proline' 0 CA--C 1.508 -0.795 0 C-N-CA 122.487 2.125 . . . . 0.0 110.225 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 1.587 ' CG1' HG22 ' B' ' 4' ' ' VAL . 15.4 t -153.84 72.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 114.042 -1.435 . . . . 0.0 110.119 178.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 1.592 HG21 ' CG1' ' B' ' 5' ' ' VAL . 84.9 t -49.3 107.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.736 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.554 HG21 HG12 ' B' ' 25' ' ' VAL . 5.0 m -83.68 164.47 19.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.068 0.461 . . . . 0.0 111.629 -179.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 59.7 mt -141.09 -176.19 4.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.444 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -166.46 -26.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.302 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -142.75 162.02 36.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.009 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.02 -38.53 20.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.482 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -56.72 -30.59 63.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.62 -25.41 41.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.974 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 90.4 m -64.6 131.02 45.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.506 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 20.0 m -147.35 161.43 36.18 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.423 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 19.0 Cg_endo -59.12 82.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.334 2.023 . . . . 0.0 111.85 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 42.7 tp -81.13 163.4 23.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.116 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.469 ' HD3' ' H ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -109.27 81.36 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.798 179.779 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 mp -71.8 -170.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.284 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.8 t -171.88 155.03 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.928 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.472 HE21 ' HA ' ' B' ' 80' ' ' ALA . 94.2 mt-30 -54.59 105.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.727 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 141.55 -16.1 2.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.326 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -100.3 165.83 11.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.663 0.268 . . . . 0.0 110.431 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.589 ' HB2' HG13 ' B' ' 4' ' ' VAL . 44.8 mt-10 -141.71 -161.23 1.19 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.835 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.495 ' HG ' ' N ' ' B' ' 25' ' ' VAL . 1.7 tp -159.85 151.4 19.95 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.281 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 1.597 HG23 ' CG1' ' B' ' 25' ' ' VAL . 0.8 OUTLIER -141.87 89.26 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.629 178.805 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 1.603 HD13 ' CD2' ' B' ' 26' ' ' LEU . 97.8 mt -65.16 146.8 54.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.6 m -142.65 127.07 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.811 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.506 HD12 ' N ' ' B' ' 28' ' ' LEU . 0.0 OUTLIER -149.93 163.8 23.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.957 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -82.93 119.24 2.83 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 123.038 2.492 . . . . 0.0 112.018 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 80.3 p -161.1 -173.98 4.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.998 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . 0.452 ' HB3' ' HD2' ' B' ' 32' ' ' PRO . 77.4 m-20 -130.49 159.03 72.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.549 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . 0.452 ' HD2' ' HB3' ' B' ' 31' ' ' ASN . 43.0 Cg_endo -65.13 -150.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.583 2.189 . . . . 0.0 112.191 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 73.9 p -56.26 83.84 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 111.265 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.451 ' N ' ' O ' ' B' ' 32' ' ' PRO . 56.3 p -120.61 -62.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.154 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.36 -60.44 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.645 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -93.38 114.37 26.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 111.273 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.446 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 16.8 mmm180 -113.51 -159.64 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.22 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.446 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 88.1 m95 -121.05 122.11 39.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.917 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -100.12 150.24 22.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.733 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 97.8 mt -95.52 100.67 12.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.191 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.432 HH11 ' NH2' ' B' ' 91' ' ' ARG . 24.2 mmm180 -71.86 -25.14 61.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.398 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.598 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 59.8 t30 -169.77 91.62 0.53 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.572 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -73.68 14.63 0.62 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.592 2.195 . . . . 0.0 112.746 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.41 ' HB1' HD21 ' B' ' 48' ' ' LEU . . . 54.18 27.52 7.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.936 0.398 . . . . 0.0 111.085 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.63 -11.51 3.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.403 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 44.9 t -62.18 -37.0 83.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.042 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.428 HG22 ' HG ' ' B' ' 48' ' ' LEU . 27.9 m -125.87 -42.26 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.474 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 1.607 HD22 ' CD1' ' B' ' 48' ' ' LEU . 15.7 mt -83.53 162.45 20.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.628 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -121.25 144.67 48.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -80.51 120.17 24.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.7 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 20.9 tp -55.06 -65.65 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.017 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -153.22 -179.61 28.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.699 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -78.6 -46.59 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.752 2.302 . . . . 0.0 112.575 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -116.54 175.7 5.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.934 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 1.608 HG23 ' CG1' ' B' ' 55' ' ' VAL . 27.4 m -135.71 13.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.137 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -100.84 6.03 43.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -128.24 -12.85 5.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -69.53 172.65 6.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 53.3 m -65.34 -30.21 71.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 60.16 108.23 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.203 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -66.88 -69.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.763 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -92.65 141.58 28.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.613 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 72.0 p -62.36 96.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.09 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.8 69.86 3.02 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.085 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 40.4 mt -136.82 96.76 3.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.13 0.49 . . . . 0.0 110.687 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 1.597 HG23 ' CG1' ' B' ' 66' ' ' VAL . 7.6 p -83.59 -28.92 7.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.046 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -161.27 -114.57 0.34 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.536 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 75.6 p -89.26 -24.62 22.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.357 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 134.73 171.15 12.4 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.52 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.64 41.23 0.95 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.431 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -124.3 126.41 46.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.772 0.32 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 49.4 m -87.96 112.29 22.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' THR . . . . . 0.443 ' HB ' HG13 ' B' ' 55' ' ' VAL . 61.4 m -112.56 121.41 44.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.436 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 78.4 m95 -101.6 113.86 27.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.825 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.504 ' HG2' HG23 ' B' ' 25' ' ' VAL . 72.9 mtp180 -101.43 127.72 47.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -135.24 141.49 45.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.466 ' HA ' ' HG2' ' B' ' 23' ' ' GLU . 8.5 tpp180 -121.85 136.19 54.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.562 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 1.601 HG23 ' CG1' ' B' ' 78' ' ' VAL . 62.1 t -75.65 128.3 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.829 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -112.84 -39.64 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.654 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.472 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -135.48 156.99 48.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.803 0.335 . . . . 0.0 111.222 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.45 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 28.8 p -73.97 -174.12 1.77 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.89 156.39 13.4 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.495 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . 0.459 ' HA ' ' HA ' ' B' ' 109' ' ' GLN . 3.8 p30 -90.68 147.05 23.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.804 0.335 . . . . 0.0 111.247 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.402 ' OD1' ' HA ' ' B' ' 44' ' ' ALA . 1.9 t70 -162.61 -172.57 3.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.591 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -156.0 119.1 4.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.161 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 1.601 HD11 ' CD2' ' B' ' 86' ' ' LEU . 11.9 mt -70.44 140.45 51.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.746 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.598 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 18.6 mt-10 -136.04 118.92 16.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.5 mp -131.16 153.4 49.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.607 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 1.574 HG21 ' CG1' ' B' ' 89' ' ' VAL . 8.5 p -141.81 156.39 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.065 0.459 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' TYR . . . . . 0.456 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 61.8 t80 -105.68 109.66 21.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.887 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.446 ' HD3' ' HB3' ' B' ' 100' ' ' PRO . 38.3 ptt180 -169.51 176.97 4.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.422 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 97.4 mtt180 -61.63 127.7 89.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.377 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.97 -23.0 19.02 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.553 2.168 . . . . 0.0 113.377 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' TRP . . . . . 0.422 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 6.5 p90 -80.33 -13.34 59.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.655 0.264 . . . . 0.0 111.383 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -84.11 145.35 28.47 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.753 0.311 . . . . 0.0 111.067 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -92.72 -45.72 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.731 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -152.89 102.19 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.762 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.69 -170.38 3.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -89.96 108.11 23.71 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . 0.446 ' HB3' ' HD3' ' B' ' 91' ' ' ARG . 70.7 Cg_endo -74.39 -175.95 2.49 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.587 2.191 . . . . 0.0 112.361 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -112.59 -64.49 1.29 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.228 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.456 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 5.3 mm-40 -100.68 -163.78 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.267 0.556 . . . . 0.0 112.051 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' SER . . . . . 0.443 ' H ' ' HB3' ' B' ' 102' ' ' GLU . 79.2 p -169.34 155.94 6.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.612 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -163.31 116.96 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.909 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 80.0 p -134.09 150.84 51.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 71.8 m -146.5 151.58 37.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -94.68 140.07 30.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.27 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . 0.473 HD13 ' HG ' ' B' ' 86' ' ' LEU . 95.9 mt -145.53 117.64 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.037 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . 0.459 ' HA ' ' HA ' ' B' ' 83' ' ' ASP . 25.8 mt-30 -126.88 141.31 51.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 1.57 HG11 ' CG2' ' B' ' 110' ' ' VAL . 2.2 t -120.23 178.58 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.384 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.408 ' H ' ' CG1' ' B' ' 110' ' ' VAL . 33.3 mmt180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.162 -0.923 . . . . 0.0 111.774 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.914 0.388 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 153.84 -33.92 0.74 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.44 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 47.3 t -140.27 154.47 46.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 53.7 m -145.79 4.95 1.01 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -140.53 142.76 35.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -150.84 146.09 26.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.712 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -75.51 97.68 3.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.994 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 64.31 135.7 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.338 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -89.81 144.51 25.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 47.6 t60 60.69 102.69 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 53.6 m -142.49 -51.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.8 t -92.04 143.04 26.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 76.65 136.14 0.69 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.529 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 90.1 mt -73.89 -69.67 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . 1.598 HG13 ' CG2' ' B' ' -6' ' ' VAL . 57.9 t -134.09 87.5 34.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -61.49 -47.49 11.53 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.573 2.182 . . . . 0.0 112.132 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -62.95 132.46 52.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -89.03 -172.2 46.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.443 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 34.9 t 59.34 17.36 5.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.931 0.396 . . . . 0.0 111.093 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -78.42 -50.21 12.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.432 ' HG3' ' HG3' ' B' ' 1' ' ' GLN . 15.9 tpt -81.95 -65.71 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.83 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . 0.531 ' HB2' HE22 ' B' ' 22' ' ' GLN . 54.5 mt-30 -118.38 -156.25 0.64 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.697 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.493 ' O ' ' HB3' ' B' ' 22' ' ' GLN . 0.0 OUTLIER -127.04 158.51 68.67 Favored Pre-proline 0 C--N 1.332 -0.165 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.258 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.582 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 81.5 Cg_exo -51.06 -19.32 5.7 Favored 'Trans proline' 0 CA--C 1.507 -0.856 0 C-N-CA 123.208 2.605 . . . . 0.0 110.827 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.532 ' HA ' ' O ' ' B' ' 23' ' ' GLU . 2.3 p -165.42 92.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 114.037 -1.438 . . . . 0.0 110.946 178.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.491 HG22 HD13 ' B' ' 24' ' ' LEU . 25.4 m -86.21 172.19 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.122 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.05 170.15 10.46 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.987 0.422 . . . . 0.0 111.818 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 1.587 ' CD2' HD13 ' B' ' 7' ' ' LEU . 64.6 tp -164.02 148.95 10.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.689 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -142.57 -48.33 0.34 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.045 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -80.51 -179.7 7.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.36 -1.95 3.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.26 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -82.54 -32.0 28.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -84.88 -0.58 54.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 31.8 m -62.31 149.65 41.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.047 0.451 . . . . 0.0 111.266 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 34.2 t -170.58 147.74 2.59 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.275 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.54 83.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.345 2.03 . . . . 0.0 111.893 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 1.597 HD22 ' CD1' ' B' ' 16' ' ' LEU . 13.8 mt -76.3 178.5 6.44 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.55 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -131.1 90.67 2.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.424 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.537 ' HB2' HG13 ' B' ' 110' ' ' VAL . 10.3 mp -70.59 -170.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.975 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.0 m -146.59 138.66 24.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.048 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -58.73 97.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.802 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.447 ' HA3' ' NH2' ' B' ' 77' ' ' ARG . . . 153.07 -39.4 0.72 Allowed Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.005 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.531 HE22 ' HB2' ' B' ' 1' ' ' GLN . 18.4 mt-30 -86.7 -167.92 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.691 ' HB2' ' HA ' ' B' ' 77' ' ' ARG . 3.3 pt-20 -173.49 -164.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.391 -0.524 . . . . 0.0 112.133 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.635 ' HG ' ' N ' ' B' ' 25' ' ' VAL . 0.2 OUTLIER -156.37 150.98 25.78 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.231 179.526 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 1.59 ' CG2' HG12 ' B' ' 25' ' ' VAL . 73.5 t -129.06 115.0 34.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.588 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 1.587 HD13 ' CD2' ' B' ' 26' ' ' LEU . 90.5 mt -88.09 157.82 18.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.283 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 87.3 m -158.35 107.51 2.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.9 mt -126.99 142.48 43.8 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.944 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.54 148.29 87.41 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.671 2.247 . . . . 0.0 112.262 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 63.1 p -169.47 117.56 0.62 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -87.96 113.59 55.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.18 -0.53 8.73 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.45 2.1 . . . . 0.0 112.415 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 56.1 m -72.85 -29.93 63.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 51.9 p -82.7 -67.42 0.79 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.308 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.1 -32.6 1.88 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.172 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -70.56 98.21 1.44 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.996 0.427 . . . . 0.0 110.878 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.422 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 14.9 mmm180 -93.84 -160.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.111 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.422 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 95.4 m95 -115.13 124.23 50.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.875 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -109.95 134.12 52.44 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.42 HD22 ' HG ' ' B' ' 88' ' ' LEU . 96.0 mt -83.43 100.2 10.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -74.29 -20.82 60.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.553 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.576 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 61.5 t30 -168.65 92.6 0.6 Allowed Pre-proline 0 CA--C 1.529 0.168 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.739 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -78.56 12.42 2.16 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.644 2.229 . . . . 0.0 112.806 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.485 ' HB1' HD21 ' B' ' 48' ' ' LEU . . . 53.52 32.5 14.32 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.812 0.339 . . . . 0.0 110.737 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.26 -17.34 1.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.896 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.404 ' HB3' ' OD1' ' B' ' 84' ' ' ASP . 39.4 t -59.05 -23.93 62.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.394 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 m -137.68 -27.13 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 1.608 HD21 ' CD1' ' B' ' 48' ' ' LEU . 79.7 mt -94.51 155.4 16.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.817 0.342 . . . . 0.0 110.999 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.497 ' HA ' ' HE3' ' B' ' 49' ' ' LYS . 0.2 OUTLIER -135.4 -155.96 0.68 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.551 179.842 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.561 ' NE ' ' HA ' ' B' ' 50' ' ' ARG . 3.4 mmp_? 59.57 13.86 3.6 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.065 0.459 . . . . 0.0 111.083 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 1.601 ' CD2' HD11 ' B' ' 51' ' ' LEU . 1.2 mt -74.87 106.72 6.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.891 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.99 161.13 13.91 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.65 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -86.19 -54.64 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.943 2.429 . . . . 0.0 112.793 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -87.71 170.81 10.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.141 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 1.604 HG11 ' CG2' ' B' ' 55' ' ' VAL . 29.5 m -133.24 11.24 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.259 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -144.51 139.76 28.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.0 t -155.52 -79.61 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -171.78 -8.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 54.4 m -86.94 12.63 10.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -62.66 98.55 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -85.75 -71.32 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.827 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -84.24 132.49 34.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.616 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 51.6 m -62.19 95.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.06 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.72 68.68 1.5 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.051 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 22.2 mt -132.28 94.59 3.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.139 0.495 . . . . 0.0 110.721 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.3 p -98.61 145.58 9.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.18 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.96 -132.95 11.34 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 74.8 p -90.33 -30.42 17.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.745 0.307 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 153.07 133.15 1.84 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.97 128.63 0.16 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.24 -178.12 7.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 111.079 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 58.0 m -99.77 143.64 29.76 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.121 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 59.3 m -146.3 121.99 10.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 7.9 m-90 -125.08 153.67 42.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.43 ' HD2' ' HB3' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -150.16 116.76 5.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.77 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.539 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 0.2 OUTLIER -121.05 145.77 47.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.025 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.691 ' HA ' ' HB2' ' B' ' 23' ' ' GLU . 2.9 tmt_? -114.88 138.71 50.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.742 0.306 . . . . 0.0 110.936 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 1.603 HG11 ' CG2' ' B' ' 78' ' ' VAL . 61.5 t -61.98 108.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.063 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.427 ' HB3' ' HB2' ' B' ' 49' ' ' LYS . . . -85.89 -59.01 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -142.09 -177.36 5.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.117 0.484 . . . . 0.0 111.42 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.553 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 58.5 m -84.48 174.18 10.25 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.981 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.2 158.49 9.82 Favored Glycine 0 N--CA 1.453 -0.227 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.449 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -94.59 132.06 39.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 111.268 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.404 ' OD1' ' HB3' ' B' ' 46' ' ' SER . 4.0 m-20 -148.12 -178.33 6.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -156.39 118.77 4.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 1.59 HD13 ' CD2' ' B' ' 86' ' ' LEU . 17.0 mt -67.56 142.29 56.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.996 0.427 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.576 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 25.5 mt-10 -135.68 106.88 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.663 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.434 ' N ' HD13 ' B' ' 88' ' ' LEU . 5.4 mp -119.17 115.3 23.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.767 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 35.1 m -107.7 138.86 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' TYR . . . . . 0.506 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 56.2 t80 -87.12 101.18 13.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.82 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.54 ' HD3' ' HG3' ' B' ' 100' ' ' PRO . 40.3 ptt180 -163.89 -175.6 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.402 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 99.0 mtt180 -78.61 114.05 39.98 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.574 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.48 -29.22 45.15 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.623 2.215 . . . . 0.0 113.171 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' TRP . . . . . 0.402 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 7.9 p90 -71.03 -5.33 30.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.581 0.229 . . . . 0.0 111.311 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -96.6 160.85 14.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 0.0 110.956 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -91.16 -58.28 2.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -140.81 108.05 5.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.51 146.18 31.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.026 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 7.0 pt-20 -59.91 111.59 4.13 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . 0.54 ' HG3' ' HD3' ' B' ' 91' ' ' ARG . 3.0 Cg_exo -74.22 139.86 27.05 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.666 2.244 . . . . 0.0 112.206 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.15 -58.95 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.719 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.506 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 5.2 mm-40 -104.23 -161.89 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.388 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' SER . . . . . 0.408 ' H ' ' HB3' ' B' ' 102' ' ' GLU . 80.2 p -171.83 153.53 3.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.975 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -153.36 143.3 22.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.981 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 80.0 p -159.88 137.86 10.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.622 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 8.4 t -142.81 138.95 30.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.997 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.29 133.08 38.9 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.151 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . 0.538 HD13 ' HG ' ' B' ' 86' ' ' LEU . 96.3 mt -146.04 106.02 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.252 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' B' ' 16' ' ' LEU . 82.7 mt-30 -119.63 170.85 8.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.757 0.313 . . . . 0.0 110.779 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 1.601 HG23 ' CG1' ' B' ' 110' ' ' VAL . 21.7 t -141.72 155.61 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.736 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.413 ' N ' HG23 ' B' ' 110' ' ' VAL . 24.0 tpt180 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.395 -0.812 . . . . 0.0 110.983 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.848 0.356 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -152.5 -110.66 0.45 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.594 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 51.9 m -93.3 155.55 17.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 80.0 p -144.59 -12.6 0.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -105.39 -35.05 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -107.02 118.34 36.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -129.98 178.97 6.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -95.06 4.07 54.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -80.8 108.29 14.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -136.95 177.08 8.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 54.0 m -91.67 175.57 6.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.77 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 54.4 m -69.32 99.26 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 71.64 150.99 0.96 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.636 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -7' ' ' LEU . . . . . 1.602 ' CD1' HD21 ' B' ' -7' ' ' LEU . 83.6 mt -80.99 -56.43 4.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 7.1 p -93.11 134.68 26.79 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.002 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.43 -48.5 21.61 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.399 2.066 . . . . 0.0 112.327 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -161.21 154.18 21.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -151.46 168.16 30.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.424 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 52.2 m -92.05 117.84 30.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.779 0.324 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 59.24 96.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 52.7 ttm -163.8 115.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.771 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . 0.471 ' HA ' ' HG2' ' B' ' 22' ' ' GLN . 26.4 mt-30 -68.8 108.35 3.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.481 ' H ' ' HB3' ' B' ' 22' ' ' GLN . 29.8 mmmt -86.23 137.83 34.73 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.091 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.411 ' O ' ' HB ' ' B' ' 4' ' ' VAL . 31.2 Cg_exo -60.94 -26.0 82.41 Favored 'Trans proline' 0 CA--C 1.513 -0.552 0 C-N-CA 122.461 2.107 . . . . 0.0 110.504 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.473 ' O ' HG12 ' B' ' 4' ' ' VAL . 7.5 p 170.55 73.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 113.727 -1.578 . . . . 0.0 110.607 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.438 ' HB ' ' HG3' ' B' ' 2' ' ' LYS . 2.6 p -57.92 105.81 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.626 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 m -74.26 162.54 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.659 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 1.606 ' CD1' HD23 ' B' ' 7' ' ' LEU . 60.8 tp -161.97 150.72 15.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.511 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -138.97 -42.05 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.014 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -91.88 152.69 19.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.566 ' C ' ' H ' ' B' ' 12' ' ' ASP . . . -85.84 -176.78 6.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.248 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 t70 64.1 -15.53 0.08 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.282 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.566 ' H ' ' C ' ' B' ' 10' ' ' ALA . 5.0 m-20 -107.97 14.06 25.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.997 0.427 . . . . 0.0 110.441 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.445 ' HB3' ' HB3' ' B' ' 106' ' ' CYS . 61.4 m -61.33 -173.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.018 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 52.0 m -84.5 125.06 72.62 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.257 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . 0.497 ' O ' ' N ' ' B' ' 17' ' ' LYS . 24.6 Cg_exo -63.01 79.84 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.357 2.038 . . . . 0.0 112.656 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.634 ' HG ' ' HB2' ' B' ' 107' ' ' ALA . 1.8 mp 45.13 -86.68 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.389 0.614 . . . . 0.0 112.112 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' B' ' 15' ' ' PRO . 13.0 mptt -33.26 117.83 0.29 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.383 -1.28 . . . . 0.0 112.172 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 1.583 HD22 ' CD1' ' B' ' 18' ' ' LEU . 0.4 OUTLIER -128.85 -161.84 1.14 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.728 179.245 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 27.9 m -158.66 145.13 17.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.485 ' HA ' HG23 ' B' ' 78' ' ' VAL . 19.8 mp0 -73.18 112.96 9.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.656 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 145.28 -18.99 1.9 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.396 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.481 ' HB3' ' H ' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -104.9 172.64 6.68 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.648 0.261 . . . . 0.0 110.386 179.67 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.542 ' HB2' ' O ' ' B' ' 76' ' ' PHE . 9.3 pt-20 -154.02 -171.61 3.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.088 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 1.604 HD22 ' CD1' ' B' ' 24' ' ' LEU . 9.7 tt -161.52 149.6 15.29 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.061 0.458 . . . . 0.0 111.48 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.473 HG23 ' HG3' ' B' ' 75' ' ' ARG . 91.8 t -136.03 104.96 4.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.508 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 51.1 tp -88.9 147.23 24.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 88.7 m -154.85 114.43 3.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 80.5 mt -115.3 154.12 47.48 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -83.07 125.24 4.03 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.538 2.159 . . . . 0.0 112.628 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 48.4 t -172.44 113.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.808 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -76.46 139.36 67.57 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -79.22 -9.71 15.13 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.625 2.217 . . . . 0.0 112.535 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 66.8 p -79.78 -0.4 34.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 67.4 p -100.3 -57.93 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.38 -43.29 1.23 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.123 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -75.35 100.74 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.807 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.524 ' HB2' ' HG3' ' B' ' 93' ' ' PRO . 14.0 mmm180 -106.26 -160.16 0.73 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.272 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -124.26 129.39 50.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.734 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -116.66 153.73 31.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.208 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.552 HD22 ' HG ' ' B' ' 88' ' ' LEU . 80.0 mt -96.14 97.85 9.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -67.03 -20.68 65.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.415 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.605 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 61.3 t30 -167.59 93.09 0.67 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.483 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.14 -5.8 17.28 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.531 2.154 . . . . 0.0 112.914 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.471 ' HB1' HD21 ' B' ' 48' ' ' LEU . . . 57.84 24.69 11.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.791 0.329 . . . . 0.0 110.711 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.15 -11.56 1.72 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.57 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.3 m -61.14 -33.49 73.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.3 m -126.41 -23.99 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.895 0.378 . . . . 0.0 111.326 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 1.606 HD11 ' CD2' ' B' ' 48' ' ' LEU . 90.4 mt -96.4 145.3 25.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.1 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.428 ' CG ' ' H ' ' B' ' 50' ' ' ARG . 7.4 ttmt -119.73 -161.37 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.165 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.557 ' HD3' ' HB3' ' B' ' 77' ' ' ARG . 9.6 mpt_? 64.26 16.16 9.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.629 0.252 . . . . 0.0 111.433 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 1.596 ' CD1' HD23 ' B' ' 51' ' ' LEU . 3.9 mm? -51.83 -72.54 0.05 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.698 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.07 175.85 5.14 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.751 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -82.54 -167.21 0.45 Allowed 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.961 2.44 . . . . 0.0 112.421 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -90.97 143.01 27.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.755 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 1.609 ' CG2' HG12 ' B' ' 55' ' ' VAL . 65.1 t -98.13 121.03 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.19 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -157.56 97.28 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.779 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.0 p -171.41 177.9 3.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -102.79 131.09 49.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.81 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 79.7 p -162.69 -51.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.969 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -78.34 128.07 33.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -100.62 -64.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -104.39 101.05 10.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 61.0 m -156.71 -175.24 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.56 -58.18 13.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.483 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 81.7 mt 58.68 108.19 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.163 0.506 . . . . 0.0 111.191 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 23.5 t -82.76 -24.42 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.015 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -110.82 -158.77 15.94 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.419 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 73.9 p -139.14 -10.42 1.28 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.754 0.311 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.04 4.98 0.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.526 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 153.92 136.68 2.32 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.542 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -143.85 146.4 33.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 58.9 m -65.04 143.6 57.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 68.1 m -136.37 110.45 8.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.07 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -117.07 124.81 50.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.737 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.473 ' HG3' HG23 ' B' ' 25' ' ' VAL . 48.7 ttp180 -137.65 137.15 38.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.302 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.542 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 0.0 OUTLIER -153.28 164.59 37.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.148 179.34 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.557 ' HB3' ' HD3' ' B' ' 50' ' ' ARG . 3.6 tpp180 -136.47 146.19 46.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.982 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 1.603 HG11 ' CG2' ' B' ' 78' ' ' VAL . 60.7 t -80.4 105.99 10.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 110.355 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.63 -59.02 2.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.817 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -126.25 -175.12 3.28 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.239 0.543 . . . . 0.0 111.719 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.734 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 6.4 p -83.43 -168.19 2.0 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.273 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.36 167.72 14.08 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.311 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -107.74 133.27 52.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.123 0.487 . . . . 0.0 111.48 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -161.02 -178.78 7.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.668 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -162.01 116.43 1.89 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.812 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 1.597 HD12 ' CD2' ' B' ' 86' ' ' LEU . 0.3 OUTLIER -62.54 129.61 41.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.45 179.736 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.605 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 26.5 mt-10 -128.42 125.29 38.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.059 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.581 HD12 HD23 ' B' ' 86' ' ' LEU . 4.7 mp -132.33 161.13 34.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.787 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 1.607 ' CG1' HG22 ' B' ' 89' ' ' VAL . 13.4 p -150.16 159.54 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.932 0.396 . . . . 0.0 111.254 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' TYR . . . . . 0.505 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 48.9 t80 -109.85 100.72 9.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.05 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.406 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 39.2 ptt180 -167.52 163.29 14.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.774 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.453 ' HA ' ' HD3' ' B' ' 93' ' ' PRO . 87.4 mtt180 -60.61 134.07 91.7 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.455 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' PRO . . . . . 0.524 ' HG3' ' HB2' ' B' ' 37' ' ' ARG . 2.5 Cg_endo -81.59 27.75 0.57 Allowed 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.259 2.639 . . . . 0.0 114.879 -177.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' TRP . . . . . 0.406 ' CZ3' ' HG2' ' B' ' 95' ' ' GLU . 25.7 p-90 -129.88 -13.05 4.17 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.396 0.617 . . . . 0.0 109.488 178.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.406 ' HG2' ' CZ3' ' B' ' 94' ' ' TRP . 31.4 mt-10 -69.16 163.71 24.25 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.134 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -105.93 -57.87 1.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.623 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -147.06 97.78 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.56 135.56 17.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.69 130.33 90.41 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . 0.406 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 67.6 Cg_endo -85.72 -161.14 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.656 2.237 . . . . 0.0 112.471 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -118.4 -19.93 8.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.505 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 25.4 mt-10 -135.85 -174.42 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.153 0.502 . . . . 0.0 111.494 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.2 p -173.08 154.29 2.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.556 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -157.7 151.38 23.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.773 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 47.9 t -171.86 144.85 1.82 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.852 0.358 . . . . 0.0 111.216 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' CYS . . . . . 0.445 ' HB3' ' HB3' ' B' ' 13' ' ' CYS . 93.5 m -136.3 135.46 38.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.634 ' HB2' ' HG ' ' B' ' 16' ' ' LEU . . . -72.27 129.21 37.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . 0.48 HD11 HD12 ' B' ' 86' ' ' LEU . 3.4 mt -138.18 90.82 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.539 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . 0.528 ' HB3' ' HB3' ' B' ' 16' ' ' LEU . 35.5 tt0 -120.92 99.79 6.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.219 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 1.606 HG13 ' CG2' ' B' ' 110' ' ' VAL . 2.3 t -86.15 161.46 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.012 0.434 . . . . 0.0 111.28 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.696 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 27.2 tpt180 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.729 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.798 0.332 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -146.14 52.34 0.57 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.497 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 47.4 t -142.01 141.55 32.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.827 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 47.0 t -84.48 161.7 20.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.987 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -123.95 -60.93 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -90.7 141.74 28.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -97.87 6.51 47.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -72.93 109.45 6.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -98.94 178.55 4.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -144.04 145.37 32.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.8 p -62.03 147.93 45.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.2 t -88.16 -44.44 10.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -77.24 128.48 9.01 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.516 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -7' ' ' LEU . . . . . 1.576 HD22 ' CD1' ' B' ' -7' ' ' LEU . 56.6 tp -118.45 121.5 40.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 31.6 t -119.49 94.03 47.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -55.92 128.21 29.33 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.582 2.188 . . . . 0.0 112.318 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -109.61 -34.17 6.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -153.53 170.94 32.35 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 46.8 t -163.93 138.8 5.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.859 0.361 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -138.13 85.29 2.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 83.3 mtp 59.57 7.58 1.05 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.457 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -146.18 158.12 43.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.793 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.602 ' C ' ' H ' ' B' ' 4' ' ' VAL . 13.4 mtpt -152.57 171.24 6.93 Favored Pre-proline 0 N--CA 1.453 -0.322 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.592 ' HD2' ' HE2' ' B' ' 2' ' ' LYS . 13.1 Cg_endo -54.92 -5.91 0.57 Allowed 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 121.771 1.647 . . . . 0.0 109.672 177.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 1.561 HG13 ' CG2' ' B' ' 4' ' ' VAL . 13.1 t 64.74 125.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 114.021 -1.445 . . . . 0.0 110.63 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.586 ' HA ' HD23 ' B' ' 24' ' ' LEU . 2.5 p 179.02 127.89 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.685 -177.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.687 HG22 ' HA ' ' B' ' 25' ' ' VAL . 90.1 m -154.01 -91.64 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.063 0.459 . . . . 0.0 111.662 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 1.6 HD22 ' CD1' ' B' ' 7' ' ' LEU . 1.3 mm? -100.73 -174.72 2.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.861 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -169.7 -27.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.37 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -136.49 -168.14 2.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.62 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.39 14.73 15.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.373 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -118.27 -10.46 10.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -88.1 8.7 25.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.07 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.533 ' HB3' ' HA ' ' B' ' 106' ' ' CYS . 71.6 m -70.56 134.69 47.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.999 0.428 . . . . 0.0 110.889 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 10.8 p -172.52 158.7 3.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.511 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.82 78.73 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.194 1.929 . . . . 0.0 111.861 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 tp -69.42 117.78 11.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.049 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -76.48 131.19 38.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.768 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 1.599 ' CD2' HD11 ' B' ' 18' ' ' LEU . 31.5 tp 62.71 164.82 0.11 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.852 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.667 HG21 HG23 ' B' ' 78' ' ' VAL . 3.8 t 172.2 -20.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 112.003 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -40.92 114.37 0.47 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.991 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.0 43.39 2.62 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.064 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.56 HE22 ' HZ2' ' B' ' 2' ' ' LYS . 14.1 mm100 -143.78 126.89 16.51 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.675 ' HB2' ' HA ' ' B' ' 4' ' ' VAL . 1.4 mm-40 -83.43 -173.43 4.71 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.22 0.533 . . . . 0.0 111.933 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 1.604 HD13 ' CD2' ' B' ' 24' ' ' LEU . 0.5 OUTLIER 73.55 -158.11 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.811 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 1.59 ' CG2' HG11 ' B' ' 25' ' ' VAL . 6.2 p 163.04 -45.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.103 0 C-N-CA 122.964 0.506 . . . . 0.0 110.575 -178.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 1.607 HD12 ' CD2' ' B' ' 26' ' ' LEU . 76.8 mt -151.69 161.44 42.66 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.111 0.482 . . . . 0.0 111.521 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.6 m -156.67 96.62 1.65 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.718 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.9 mt -144.0 152.83 56.04 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.009 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -87.94 153.69 7.19 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.783 2.322 . . . . 0.0 112.287 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 61.4 p -168.63 161.47 11.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -96.79 104.7 19.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . 0.482 ' HA ' ' HD3' ' B' ' 37' ' ' ARG . 72.1 Cg_endo -73.44 151.98 48.53 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.566 2.177 . . . . 0.0 112.501 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 66.7 p 49.87 24.84 1.4 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.592 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 72.5 m -107.66 -38.58 5.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.24 -63.28 0.46 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.404 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -79.09 107.06 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.536 ' HB2' ' HG3' ' B' ' 93' ' ' PRO . 17.4 mmm180 -122.75 -160.93 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.326 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -125.7 123.1 38.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.936 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -101.17 159.35 15.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.749 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.485 HD22 ' HG ' ' B' ' 88' ' ' LEU . 89.0 mt -100.85 104.93 16.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.286 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -80.67 -21.5 41.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.246 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.61 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 8.7 t30 -169.62 84.8 0.61 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.154 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -65.26 -1.75 4.96 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.704 2.269 . . . . 0.0 113.098 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 54.76 24.71 5.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.959 0.409 . . . . 0.0 110.388 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.14 -13.64 2.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.372 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.1 t -61.35 -27.2 68.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.535 ' HA ' ' HB3' ' B' ' 80' ' ' ALA . 29.1 m -131.17 -7.19 2.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.773 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 1.61 HD12 ' CD2' ' B' ' 48' ' ' LEU . 27.0 mt -114.59 137.91 51.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.8 0.333 . . . . 0.0 111.199 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -100.63 144.79 29.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -103.48 132.07 50.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.604 HD12 ' HB2' ' B' ' 77' ' ' ARG . 7.3 mp -65.17 -43.13 92.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 144.01 -172.59 25.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.482 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.6 101.48 1.38 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.641 2.228 . . . . 0.0 112.39 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -172.58 116.01 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 1.61 ' CG2' HG12 ' B' ' 55' ' ' VAL . 27.3 m -130.23 11.67 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -130.04 -178.71 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.73 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 53.1 m -112.76 156.77 22.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -67.49 -62.02 1.62 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 50.2 m -119.51 -63.22 1.41 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -157.82 105.46 2.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.665 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -137.89 -178.25 5.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -81.8 113.16 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 47.8 t -155.4 -28.13 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.29 -72.74 0.42 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.452 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 68.8 mt 52.2 27.65 4.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.254 0.549 . . . . 0.0 111.344 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 1.61 ' CG1' HG21 ' B' ' 66' ' ' VAL . 57.4 t -62.39 -27.5 42.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -122.71 35.45 3.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.423 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 38.7 m 58.91 18.16 5.94 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.779 0.323 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 119.92 18.94 4.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.442 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.02 45.0 1.62 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.536 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -144.7 118.05 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 111.09 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.1 p -64.62 103.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.39 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 58.2 m -92.15 97.75 11.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.532 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.496 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 85.1 m95 -99.42 112.36 24.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.015 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.482 ' HD2' HG22 ' B' ' 4' ' ' VAL . 75.6 mtm180 -134.06 103.94 6.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.8 0.333 . . . . 0.0 111.883 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -107.38 -172.44 2.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.992 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.604 ' HB2' HD12 ' B' ' 51' ' ' LEU . 2.2 tmt_? -145.17 129.65 17.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.128 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 1.586 HG23 ' CG1' ' B' ' 78' ' ' VAL . 31.1 t -77.77 144.87 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 111.641 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -156.68 6.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.954 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.535 ' HB3' ' HA ' ' B' ' 47' ' ' VAL . . . -136.08 157.99 45.5 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.487 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 7.9 p -98.61 172.94 7.17 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.446 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.11 167.52 20.55 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.562 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . 0.564 ' HB3' HE22 ' B' ' 109' ' ' GLN . 2.3 p30 -85.22 160.98 19.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.834 0.349 . . . . 0.0 111.207 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -171.51 178.18 3.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.815 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -161.73 99.72 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.453 HD13 ' O ' ' B' ' 42' ' ' ASN . 63.8 tp -60.0 141.09 56.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.585 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.61 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 23.5 mt-10 -140.55 133.61 29.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.584 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.574 ' HB2' ' HB3' ' B' ' 104' ' ' PHE . 6.2 mp -138.95 169.75 17.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.372 179.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 1.61 HG11 ' CG2' ' B' ' 89' ' ' VAL . 14.9 p -149.44 157.91 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.018 0.437 . . . . 0.0 111.042 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -103.82 103.34 13.2 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.033 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 39.1 ptt180 -170.89 173.14 5.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.464 ' HA ' ' HD3' ' B' ' 93' ' ' PRO . 97.7 mtt180 -68.99 137.14 89.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.477 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' PRO . . . . . 0.536 ' HG3' ' HB2' ' B' ' 37' ' ' ARG . 2.2 Cg_endo -82.25 27.47 0.59 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.317 2.678 . . . . 0.0 114.986 -177.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' TRP . . . . . 0.411 ' CZ3' ' HG2' ' B' ' 95' ' ' GLU . 25.4 p-90 -129.2 -12.48 4.57 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.343 0.592 . . . . 0.0 109.455 179.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.411 ' HG2' ' CZ3' ' B' ' 94' ' ' TRP . 28.1 mt-10 -70.75 166.7 20.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.091 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -113.46 -41.02 3.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.546 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -167.26 103.12 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.745 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.61 -164.85 1.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.255 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -106.08 93.76 8.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.782 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . 0.539 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 50.3 Cg_endo -69.39 168.52 20.83 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.576 2.184 . . . . 0.0 112.33 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.58 -75.03 0.49 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -90.46 -177.35 5.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.388 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' SER . . . . . 0.481 ' HA ' ' HA ' ' B' ' 89' ' ' VAL . 49.1 m -161.6 -179.63 7.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.576 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.574 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 25.7 t80 -159.81 149.18 17.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 47.9 t -164.03 107.54 0.96 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.152 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' CYS . . . . . 0.533 ' HA ' ' HB3' ' B' ' 13' ' ' CYS . 0.1 OUTLIER -116.32 132.57 56.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.029 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.82 146.97 24.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.468 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 71.9 mt -146.29 145.07 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . 0.564 HE22 ' HB3' ' B' ' 83' ' ' ASP . 5.7 tp-100 -144.95 102.43 3.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.642 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 1.58 HG21 ' CG1' ' B' ' 110' ' ' VAL . 3.5 t -68.66 -65.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.787 0.327 . . . . 0.0 111.012 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.014 -179.558 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.876 0.37 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 124.21 6.8 6.74 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.535 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 79.9 p -91.8 164.1 13.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.796 0.331 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 49.2 m -91.53 122.61 34.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -93.84 131.07 39.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -100.07 119.02 37.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -130.06 109.03 10.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 58.17 -172.25 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.031 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 -91.01 -175.63 4.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 44.1 t60 59.52 98.66 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.037 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 48.3 t -162.58 129.74 3.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 79.6 p -147.91 174.89 11.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 117.48 29.99 1.97 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.547 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.95 -175.67 4.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.822 0.344 . . . . 0.0 111.029 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 34.5 m -56.76 151.55 31.22 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.33 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.73 136.2 64.58 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.543 2.162 . . . . 0.0 112.365 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -105.35 -172.97 2.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -65.51 177.18 13.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.609 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 47.8 t -84.92 158.93 20.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -119.74 175.91 5.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 24.1 mmt -86.51 -176.87 6.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.695 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 65.16 126.98 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.752 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.489 ' HB2' HG12 ' B' ' 5' ' ' VAL . 42.0 mtpt -103.8 140.69 21.3 Favored Pre-proline 0 CA--C 1.519 -0.216 0 CA-C-O 120.722 0.296 . . . . 0.0 111.565 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.523 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 61.3 Cg_exo -57.13 -25.73 65.54 Favored 'Trans proline' 0 CA--C 1.508 -0.783 0 C-N-CA 122.625 2.217 . . . . 0.0 110.706 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 1.578 ' CG2' HG12 ' B' ' 4' ' ' VAL . 61.2 t -157.7 81.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.365 -1.289 . . . . 0.0 110.903 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 1.608 HG21 ' CG1' ' B' ' 5' ' ' VAL . 6.7 t -59.06 105.63 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -69.52 161.98 28.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.878 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -162.19 113.41 1.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.183 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -109.3 -15.0 14.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -79.23 -159.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.57 -70.42 0.44 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.402 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -90.76 -8.85 48.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.178 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.7 -9.94 48.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.07 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.488 ' C ' ' HD3' ' B' ' 15' ' ' PRO . 0.7 OUTLIER -62.78 -96.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.242 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.537 ' N ' ' HD3' ' B' ' 15' ' ' PRO . 80.6 p 41.76 47.04 2.12 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.878 -178.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . 0.6 ' HD2' ' HB3' ' B' ' 107' ' ' ALA . 92.3 Cg_endo -89.13 -35.01 0.09 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 122.026 1.817 . . . . 0.0 113.072 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.672 ' HG ' ' HB2' ' B' ' 107' ' ' ALA . 4.4 mp 58.77 -89.38 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.542 0.687 . . . . 0.0 110.913 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -38.5 107.27 0.06 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.297 -1.319 . . . . 0.0 111.51 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 1.606 ' CD2' HD13 ' B' ' 18' ' ' LEU . 16.5 tp -142.65 172.7 12.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.409 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.53 HG21 HH12 ' B' ' 111' ' ' ARG . 24.3 m -154.32 145.76 23.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.933 0.397 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.463 ' HG3' HG23 ' B' ' 78' ' ' VAL . 18.7 mp0 -53.27 143.41 18.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.959 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.425 ' HA3' ' NH2' ' B' ' 77' ' ' ARG . . . 117.44 -10.86 14.42 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.427 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -111.8 152.93 27.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.92 0.39 . . . . 0.0 110.643 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.523 ' HB2' ' O ' ' B' ' 3' ' ' PRO . 37.7 mt-10 -127.99 -167.79 1.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.912 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 1.6 HD12 ' CD2' ' B' ' 24' ' ' LEU . 8.9 tt -166.21 150.1 7.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.033 0.444 . . . . 0.0 111.413 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.543 HG23 ' HG2' ' B' ' 75' ' ' ARG . 65.3 t -138.47 107.64 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.819 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 1.6 HD23 ' CD1' ' B' ' 26' ' ' LEU . 94.6 mt -77.91 158.58 29.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 59.2 m -153.88 102.88 2.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 82.0 mt -132.2 138.14 31.63 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.56 150.05 88.88 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.623 2.215 . . . . 0.0 112.282 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 88.5 p -164.65 132.91 3.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.694 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -108.06 104.02 52.1 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.019 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . 0.495 ' HB3' HH12 ' B' ' 37' ' ' ARG . 35.6 Cg_exo -57.92 -22.0 52.25 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.49 2.127 . . . . 0.0 112.302 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 77.8 p -63.02 -41.91 99.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.249 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 77.9 p -71.78 -63.77 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.242 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.7 -13.13 4.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.253 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -75.82 91.09 2.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.127 0.489 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.495 HH12 ' HB3' ' B' ' 32' ' ' PRO . 3.9 tpt180 -90.96 -146.93 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.248 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -137.2 137.92 39.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.859 0.362 . . . . 0.0 110.937 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.457 ' HG2' HH21 ' B' ' 91' ' ' ARG . 8.9 tp10 -117.88 137.98 52.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 95.7 mt -89.97 108.78 19.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.514 ' NE ' ' HA ' ' B' ' 41' ' ' ARG . 4.0 mmp_? -82.57 -17.13 45.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.512 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.555 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 59.8 t30 -174.58 86.12 0.33 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.659 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.87 0.93 6.38 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.587 2.192 . . . . 0.0 112.631 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.71 22.25 6.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.873 0.368 . . . . 0.0 110.929 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.85 -8.08 2.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.369 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -64.57 -34.41 78.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.25 -36.86 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.722 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 1.591 HD13 ' CD2' ' B' ' 48' ' ' LEU . 13.7 mt -86.89 133.46 33.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.8 0.333 . . . . 0.0 110.817 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -87.96 137.05 32.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -80.8 141.56 34.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 1.609 HD12 ' CD2' ' B' ' 51' ' ' LEU . 71.4 mt -91.42 104.21 16.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 73.56 163.5 8.54 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.54 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.52 -64.39 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.653 2.235 . . . . 0.0 112.31 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -164.46 -179.32 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 42.1 t -128.19 130.24 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.979 0.418 . . . . 0.0 111.042 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 75.2 t80 60.29 103.98 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.138 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m -117.75 -66.75 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.759 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -104.82 -163.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.726 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 51.7 m -53.48 -49.62 67.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.814 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 58.76 100.21 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.304 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -64.67 116.66 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.762 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 58.77 93.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.9 m -98.88 -39.95 8.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.036 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.65 71.83 0.74 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.313 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 46.8 mt -116.28 -143.13 0.38 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 121.039 0.447 . . . . 0.0 110.341 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 34.6 t -92.54 -27.98 4.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -116.38 -149.81 9.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.473 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 72.2 p -152.95 -5.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -111.1 -47.04 0.78 Allowed Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.396 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 162.47 140.82 2.96 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.548 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -151.59 177.59 10.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.334 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 54.9 m -121.1 109.14 14.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 58.1 m -114.04 129.6 56.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.423 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 80.5 m95 -125.2 146.59 49.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.575 ' HB3' HD23 ' B' ' 51' ' ' LEU . 93.6 mtt180 -137.18 135.81 37.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.703 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.76 153.96 49.65 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.967 0.413 . . . . 0.0 111.431 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.425 ' NH2' ' HA3' ' B' ' 21' ' ' GLY . 9.9 tpt180 -140.37 136.75 33.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.647 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 1.606 HG21 ' CG1' ' B' ' 78' ' ' VAL . 28.5 t -86.21 113.16 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.848 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -111.16 -53.51 2.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.93 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.6 155.75 20.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.912 0.387 . . . . 0.0 111.419 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.435 ' HA ' ' CB ' ' B' ' 110' ' ' VAL . 27.2 p -77.79 -176.85 4.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.35 160.76 11.27 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.579 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -89.29 145.24 25.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.702 0.287 . . . . 0.0 110.8 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -169.42 -174.27 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -167.02 109.62 0.69 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.697 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.462 ' HA ' ' O ' ' B' ' 42' ' ' ASN . 62.0 tp -63.47 146.76 52.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.904 0.383 . . . . 0.0 110.812 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.555 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 3.4 mt-10 -145.07 135.13 23.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.496 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.413 ' HB2' ' HB3' ' B' ' 104' ' ' PHE . 5.4 mp -144.95 118.47 9.1 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 179.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 22.1 m -109.03 157.32 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.759 0.314 . . . . 0.0 110.935 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' TYR . . . . . 0.567 ' HB2' ' HB2' ' B' ' 102' ' ' GLU . 6.9 t80 -95.45 108.45 20.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.347 -179.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.457 HH21 ' HG2' ' B' ' 39' ' ' GLU . 36.6 ptt180 -173.56 172.69 3.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.337 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.573 ' H ' ' HB2' ' B' ' 96' ' ' LYS . 94.7 mtt180 -54.82 155.3 8.19 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.806 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' PRO . . . . . 0.402 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 80.6 Cg_exo -47.32 -28.05 7.7 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.941 2.428 . . . . 0.0 113.443 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' TRP . . . . . 0.41 ' O ' ' HB3' ' B' ' 95' ' ' GLU . 23.0 p90 -108.45 -57.14 2.17 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.782 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' B' ' 95' ' ' GLU . 10.3 pt-20 178.44 123.19 0.05 OUTLIER 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.992 0.425 . . . . 0.0 111.407 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . 0.573 ' HB2' ' H ' ' B' ' 92' ' ' ARG . 12.5 tmtt? -103.29 91.26 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 60.09 14.3 4.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.833 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 57.01 17.02 3.14 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.414 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -124.1 96.68 41.84 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.658 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -77.79 145.54 22.86 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.974 2.45 . . . . 0.0 112.542 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.86 -66.46 0.84 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.808 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.567 ' HB2' ' HB2' ' B' ' 90' ' ' TYR . 20.9 mt-10 -85.17 -172.52 4.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.763 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 78.8 p -166.37 152.48 8.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.954 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.413 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 39.8 t80 -143.76 143.28 31.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 47.3 t -160.5 102.35 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 10.2 t -109.08 117.61 34.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.672 ' HB2' ' HG ' ' B' ' 16' ' ' LEU . . . -64.16 133.42 52.89 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . 0.509 HG22 HD23 ' B' ' 48' ' ' LEU . 59.5 mt -146.0 111.97 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.997 0.427 . . . . 0.0 111.656 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -139.85 104.56 4.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.315 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 1.58 HG23 ' CG1' ' B' ' 110' ' ' VAL . 20.4 t -63.25 -82.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.175 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.53 HH12 HG21 ' B' ' 19' ' ' THR . 6.7 mpt_? . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.314 -0.85 . . . . 0.0 110.971 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.777 0.322 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -97.2 -142.62 13.57 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.348 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 49.0 m -92.07 -31.02 15.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 81.1 p -90.95 121.82 33.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -140.73 119.54 12.56 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -131.55 -43.83 1.01 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -109.85 147.52 33.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.741 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -142.96 140.58 31.14 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.69 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -140.95 178.78 7.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.819 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -85.05 126.66 33.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 46.9 t -76.61 145.04 39.16 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 55.7 m -69.68 130.04 41.28 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -140.27 -139.68 3.77 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.384 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -7' ' ' LEU . . . . . 1.605 HD22 ' CD1' ' B' ' -7' ' ' LEU . 55.2 tp -96.11 132.91 41.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.786 0.327 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 33.9 m -98.28 150.63 36.92 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -57.51 -62.39 0.22 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.674 2.249 . . . . 0.0 112.221 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -4' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' B' ' -4' ' ' ARG . 4.4 mmp_? -96.1 137.64 34.88 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 150.67 -4.22 0.55 Allowed Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.594 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 47.8 t -96.64 142.94 28.08 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.703 0.287 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 61.6 m80 65.02 143.44 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.203 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 95.5 mmm -135.61 172.31 13.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -148.11 140.29 24.19 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.772 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.62 ' C ' ' H ' ' B' ' 4' ' ' VAL . 9.4 mmtm -131.29 141.97 43.78 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.629 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 31.6 Cg_exo -64.4 5.8 0.38 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.708 2.272 . . . . 0.0 110.186 177.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.62 ' H ' ' C ' ' B' ' 2' ' ' LYS . 2.0 p 42.6 101.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 114.3 -1.318 . . . . 0.0 112.083 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 1.608 HG23 ' CG1' ' B' ' 5' ' ' VAL . 21.5 t -70.69 141.38 17.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.116 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.3 m -100.09 164.04 12.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.125 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 83.4 mt -138.27 145.88 41.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -138.21 -9.54 1.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -130.91 146.96 52.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.062 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.76 -43.83 24.69 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.055 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.6 -24.24 67.02 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.775 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -70.06 -19.8 63.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 60.7 m -69.19 155.72 39.92 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.051 0.453 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.468 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 14.3 m -153.55 159.27 32.32 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.355 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 13.8 Cg_endo -56.67 89.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.177 1.918 . . . . 0.0 111.628 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 22.6 tp -41.2 99.62 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.302 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.488 ' HD3' ' H ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -76.14 98.86 4.5 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.283 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 1.596 HD22 ' CD1' ' B' ' 18' ' ' LEU . 27.7 tp 63.23 162.69 0.1 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.663 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.491 HG22 HG13 ' B' ' 78' ' ' VAL . 0.0 OUTLIER -174.53 -89.23 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.62 -179.789 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.413 ' H ' HG23 ' B' ' 78' ' ' VAL . 58.6 mt-30 47.81 88.99 0.02 OUTLIER 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.096 0.474 . . . . 0.0 111.065 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.08 2.35 18.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.073 -0.584 . . . . 0.0 111.946 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.545 ' HG2' ' HG3' ' B' ' 2' ' ' LYS . 4.8 mt-30 -104.5 133.57 49.14 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.793 0.33 . . . . 0.0 110.464 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.495 ' HG3' ' HB ' ' B' ' 4' ' ' VAL . 0.0 OUTLIER -98.6 -177.99 3.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.476 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 39.0 tp -162.26 112.57 1.53 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.716 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.542 HG21 HG22 ' B' ' 4' ' ' VAL . 54.2 t -110.74 95.59 3.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 1.608 HD11 ' CD2' ' B' ' 26' ' ' LEU . 94.3 mt -73.27 156.04 38.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.049 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 68.7 m -154.07 110.28 3.28 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 80.7 mt -132.37 137.08 29.14 Favored Pre-proline 0 C--O 1.234 0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -62.83 122.81 11.26 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.582 2.188 . . . . 0.0 112.344 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 45.9 t -169.19 117.34 0.64 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.759 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -84.09 123.41 75.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -74.36 -1.33 10.85 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.49 2.126 . . . . 0.0 112.413 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 71.0 p -88.83 -7.6 55.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.229 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 69.1 p -90.39 -58.7 2.4 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.0 -42.85 1.07 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.286 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -71.92 100.67 2.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.074 0.464 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.401 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 17.9 mmm180 -100.65 -160.87 0.82 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.993 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.401 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 96.8 m95 -115.6 106.08 13.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.971 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -87.57 140.64 29.32 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.507 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 97.2 mt -90.08 100.59 13.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.333 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.44 ' HB2' ' HB3' ' B' ' 87' ' ' GLU . 14.2 mmm180 -72.54 -25.12 61.26 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.188 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.476 ' HB3' ' HB2' ' B' ' 87' ' ' GLU . 63.5 t30 -172.73 89.95 0.4 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.465 ' HG3' HH21 ' B' ' 50' ' ' ARG . 56.2 Cg_endo -69.16 8.2 0.68 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.647 2.231 . . . . 0.0 112.79 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.412 ' HA ' ' OD1' ' B' ' 84' ' ' ASP . . . 54.41 23.69 4.65 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.848 0.356 . . . . 0.0 110.787 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.67 -14.68 3.46 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.423 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 83.1 p -60.54 -29.63 69.26 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.2 m -123.39 -31.16 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.505 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 1.584 HD21 ' CD1' ' B' ' 48' ' ' LEU . 12.2 mt -92.58 168.91 10.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.68 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -131.03 148.57 52.76 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.465 HH21 ' HG3' ' B' ' 43' ' ' PRO . 99.0 mtt180 -90.46 158.12 17.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 1.611 ' CD2' HD11 ' B' ' 51' ' ' LEU . 93.5 mt -93.58 -63.2 1.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.896 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -141.36 176.71 21.6 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.417 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -81.22 -45.06 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.774 2.316 . . . . 0.0 112.518 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -95.07 160.35 14.6 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.057 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 1.572 HG11 ' CG2' ' B' ' 55' ' ' VAL . 31.6 m -132.83 11.6 1.51 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -104.1 -69.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.009 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.4 p -103.22 114.06 28.05 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -155.87 -59.86 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.766 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 79.6 p -145.93 -42.45 0.21 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.06 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 59.47 99.77 0.02 OUTLIER 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.203 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -94.27 -64.74 1.04 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.066 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -139.1 8.67 2.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.972 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 78.9 p -62.18 113.09 2.66 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.91 -39.27 17.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.427 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 78.2 mt 60.12 109.15 0.02 OUTLIER 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.922 0.391 . . . . 0.0 111.168 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 1.607 HG13 ' CG2' ' B' ' 66' ' ' VAL . 94.2 t -65.95 112.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.04 -133.27 11.67 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.544 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 77.2 p -91.81 4.58 52.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.682 0.277 . . . . 0.0 110.756 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.22 70.43 0.57 Allowed Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.449 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -121.92 50.62 0.83 Allowed Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.635 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -136.9 120.83 17.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 0.0 110.804 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 46.6 t -69.66 114.51 7.93 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 74.4 m -114.57 118.53 33.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.974 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.458 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 84.2 m95 -108.91 115.74 30.67 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.813 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.478 ' HB3' HD21 ' B' ' 51' ' ' LEU . 73.2 mtm180 -106.71 126.0 51.73 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -133.28 157.04 46.46 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.11 0.481 . . . . 0.0 111.138 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.454 HH11 ' HG2' ' B' ' 23' ' ' GLU . 9.9 tpt180 -145.23 124.78 13.19 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.318 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 1.588 HG21 ' CG1' ' B' ' 78' ' ' VAL . 61.3 t -66.36 143.85 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.196 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -131.21 -36.53 1.3 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.374 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -141.61 156.69 45.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.936 0.398 . . . . 0.0 111.381 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.418 ' HB2' ' HB2' ' B' ' 111' ' ' ARG . 43.0 p -72.97 -167.31 0.37 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.061 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 121.42 160.72 11.12 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.426 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -102.46 116.46 32.67 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.412 ' OD1' ' HA ' ' B' ' 44' ' ' ALA . 3.7 t70 -143.94 -170.27 3.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.445 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -155.87 116.92 3.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.095 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 1.594 HD13 ' CD2' ' B' ' 86' ' ' LEU . 4.1 mt -65.18 141.22 58.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.438 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.476 ' HB2' ' HB3' ' B' ' 42' ' ' ASN . 45.2 mm-40 -140.52 111.67 7.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.47 HD12 HD11 ' B' ' 86' ' ' LEU . 5.3 mp -127.44 122.49 33.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.348 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 1.605 ' CG2' HG12 ' B' ' 89' ' ' VAL . 14.8 p -111.23 158.2 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.176 0.512 . . . . 0.0 111.207 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' TYR . . . . . 0.484 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 72.5 t80 -108.4 100.74 9.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.688 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.417 ' HB3' ' HA ' ' B' ' 100' ' ' PRO . 33.5 ptt180 -164.52 -169.34 1.73 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.052 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.426 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 97.7 mtt180 -79.55 111.49 21.41 Favored Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.586 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.8 -13.15 19.9 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.673 2.249 . . . . 0.0 113.623 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' TRP . . . . . 0.426 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 7.9 p90 -82.03 7.45 13.23 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.197 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -114.31 162.28 16.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.784 0.326 . . . . 0.0 110.977 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -84.9 -38.96 18.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.689 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -167.33 107.67 0.6 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.859 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.82 178.9 6.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.441 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 40.8 mt-10 -75.74 115.68 48.28 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.092 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 99' ' ' GLU . 6.1 Cg_exo -79.31 159.85 26.14 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.989 2.46 . . . . 0.0 112.387 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -98.81 -68.34 0.81 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.3 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.484 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 5.5 mm-40 -100.79 -162.3 0.93 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.326 0.584 . . . . 0.0 111.805 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' SER . . . . . 0.447 ' H ' ' HB3' ' B' ' 102' ' ' GLU . 80.3 p -168.87 157.06 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.799 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -163.41 103.5 0.95 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.682 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 28.7 m -122.34 152.28 40.3 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.096 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 63.6 m -144.98 140.29 28.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.586 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.24 148.48 27.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.448 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . 0.458 HD12 HD22 ' B' ' 48' ' ' LEU . 74.4 mt -143.19 125.93 12.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.915 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -144.58 86.54 1.82 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.771 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 1.61 ' CG2' HG12 ' B' ' 110' ' ' VAL . 17.9 t -72.02 -55.56 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.128 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.418 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 36.0 mmt180 . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.906 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.835 0.35 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 92.08 17.56 46.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 79.7 p -141.84 -21.83 0.72 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.92 0.39 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 51.1 m -135.39 135.53 40.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -92.22 175.26 6.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -94.06 141.45 28.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -91.32 2.56 56.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.817 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -89.75 126.18 35.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -95.06 145.86 24.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -129.7 -31.41 1.99 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 78.4 p -84.68 111.62 19.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 50.9 m 57.77 -172.62 0.09 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -161.39 -40.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.446 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 57.4 tp -159.93 111.64 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.838 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . 1.595 HG13 ' CG2' ' B' ' -6' ' ' VAL . 4.3 p -156.4 129.74 4.51 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.975 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.65 -28.98 88.68 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.409 2.073 . . . . 0.0 112.331 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -4' ' ' ARG . . . . . 0.536 ' H ' HG13 ' B' ' -6' ' ' VAL . 59.2 ttp180 -58.64 -64.87 0.78 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.043 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -100.31 72.17 0.45 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 48.1 t -165.01 116.11 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 0.0 110.94 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -119.73 118.59 31.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.726 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.86 149.13 21.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.135 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . 0.436 ' HA ' HH22 ' B' ' 77' ' ' ARG . 11.4 pt20 -159.02 161.7 36.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.74 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.625 ' HG3' ' HG2' ' B' ' 22' ' ' GLN . 0.3 OUTLIER -132.78 151.11 77.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.338 . . . . 0.0 111.459 -179.823 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.514 ' HD2' ' HD3' ' B' ' 2' ' ' LYS . 36.8 Cg_exo -64.37 4.14 0.66 Allowed 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 123.178 2.585 . . . . 0.0 110.871 178.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.553 ' H ' ' C ' ' B' ' 2' ' ' LYS . 2.0 p 41.43 108.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 114.662 -1.154 . . . . 0.0 112.613 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 1.606 ' CG1' HG22 ' B' ' 5' ' ' VAL . 58.7 t -67.25 133.71 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.294 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.411 HG21 HG11 ' B' ' 25' ' ' VAL . 2.8 m -85.67 163.26 18.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.844 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 1.593 ' CD2' HD11 ' B' ' 7' ' ' LEU . 60.9 tp -150.56 142.92 24.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.852 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -143.64 0.77 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -116.65 177.56 4.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.22 -19.8 1.46 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.149 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -88.97 -26.18 21.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.776 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -81.74 2.97 27.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 18.9 m -77.03 144.95 38.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.055 0.455 . . . . 0.0 111.39 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.436 ' O ' ' N ' ' B' ' 16' ' ' LEU . 20.0 m -158.6 160.68 29.32 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.169 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.95 83.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.316 2.011 . . . . 0.0 111.908 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 1.604 ' CD2' HD13 ' B' ' 16' ' ' LEU . 10.9 mt -66.58 172.4 4.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.802 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.527 ' HD2' ' N ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -121.33 72.47 1.0 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.61 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mp -73.68 -172.24 1.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.226 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 27.2 m -156.76 151.22 25.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.519 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.554 HE21 ' HA ' ' B' ' 80' ' ' ALA . 83.9 mt-30 -56.3 97.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.416 ' HA3' HH21 ' B' ' 77' ' ' ARG . . . 139.42 2.44 1.77 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.638 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.625 ' HG2' ' HG3' ' B' ' 2' ' ' LYS . 8.7 mt-30 -104.75 135.47 46.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.786 0.327 . . . . 0.0 110.703 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.458 ' HG3' ' HB ' ' B' ' 4' ' ' VAL . 0.1 OUTLIER -96.64 -175.68 3.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.361 179.461 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 1.6 HD13 ' CD2' ' B' ' 24' ' ' LEU . 4.9 tt -157.13 118.09 3.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.903 0.382 . . . . 0.0 110.795 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 1.586 ' CG2' HG12 ' B' ' 25' ' ' VAL . 19.9 m -106.3 148.76 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.221 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -153.5 147.24 25.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.2 m -151.73 132.91 14.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.232 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -133.38 161.47 63.56 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.961 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -82.48 125.22 4.37 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.531 2.154 . . . . 0.0 112.441 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 80.6 p -164.28 168.48 18.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.803 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -131.45 122.3 18.84 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.22 -0.82 10.11 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.426 2.084 . . . . 0.0 112.453 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 56.4 m -90.32 -33.35 16.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.066 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 69.6 p -66.23 -63.55 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.207 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.47 -28.57 2.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.384 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -81.02 98.76 8.11 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 111.047 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.443 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 18.1 mmm180 -101.05 -157.49 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.443 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 88.3 m95 -127.15 136.56 52.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.732 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -117.32 154.86 30.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.956 0.407 . . . . 0.0 111.24 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.53 HD21 ' HG ' ' B' ' 88' ' ' LEU . 15.8 mt -102.87 98.74 8.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.201 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.442 HH11 HH22 ' B' ' 91' ' ' ARG . 31.9 mmm180 -72.53 -21.99 61.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.596 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.6 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 62.3 t30 -163.37 85.48 1.33 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.59 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.451 ' HB3' HD12 ' B' ' 40' ' ' LEU . 96.8 Cg_endo -77.9 32.24 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.82 2.346 . . . . 0.0 112.588 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.53 ' HB2' HD11 ' B' ' 48' ' ' LEU . . . 57.42 24.66 10.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.859 0.361 . . . . 0.0 110.971 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.72 -11.8 2.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.174 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -62.57 -47.75 82.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.969 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.622 HG22 HD13 ' B' ' 48' ' ' LEU . 8.3 m -128.34 -36.47 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.281 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.634 ' HG ' HG11 ' B' ' 78' ' ' VAL . 10.7 mp -71.78 -176.34 1.63 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.863 0.364 . . . . 0.0 110.551 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -142.97 150.14 39.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -94.69 156.38 16.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 1.609 HD12 ' CD2' ' B' ' 51' ' ' LEU . 82.1 mt -95.62 -68.02 0.82 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.79 157.43 29.45 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.612 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -66.32 -51.71 1.02 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.797 2.331 . . . . 0.0 112.282 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -57.08 152.37 13.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.993 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 1.597 HG11 ' CG2' ' B' ' 55' ' ' VAL . 28.3 m -124.77 12.4 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.068 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -115.93 144.85 43.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.5 t -156.0 -66.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.957 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -105.9 179.48 4.26 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 52.4 m -68.76 -56.12 9.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -125.58 112.99 16.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -84.09 -63.34 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -125.88 -58.12 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.82 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 57.1 m -141.2 -69.58 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.708 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.31 26.72 64.4 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.493 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 91.0 mt -97.48 21.38 10.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.306 0.574 . . . . 0.0 110.823 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 31.9 t -122.61 119.13 57.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.187 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.78 -32.18 6.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.566 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 94.6 p 50.67 23.96 1.53 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.813 0.339 . . . . 0.0 111.313 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -148.94 -15.89 0.1 OUTLIER Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.486 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.43 151.56 5.63 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.51 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.96 168.51 22.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 50.7 m -98.42 114.39 26.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 74.3 m -121.5 101.8 7.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -90.38 134.52 34.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.193 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -132.36 121.41 23.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.708 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -123.28 167.31 13.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.097 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.436 HH22 ' HA ' ' B' ' 1' ' ' GLN . 8.7 tpt180 -150.38 123.31 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.523 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 1.602 HG21 ' CG1' ' B' ' 78' ' ' VAL . 38.5 t -65.58 151.94 9.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.04 -3.82 0.75 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.554 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -160.97 156.34 24.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 111.608 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.595 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 20.5 p -82.45 167.91 17.98 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.752 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.64 176.3 14.41 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.402 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -93.85 123.98 37.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.773 0.321 . . . . 0.0 111.042 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -139.5 -178.99 5.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.471 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -165.58 126.56 1.9 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.895 0.378 . . . . 0.0 111.229 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 1.574 HD11 ' CD2' ' B' ' 86' ' ' LEU . 1.8 mm? -75.73 113.04 12.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.754 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.6 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 27.4 mt-10 -111.13 113.3 25.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.007 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.53 ' HG ' HD21 ' B' ' 40' ' ' LEU . 6.1 mp -125.13 147.54 48.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.689 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 30.6 m -135.42 161.34 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.054 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' TYR . . . . . 0.462 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 17.3 t80 -102.82 101.71 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.205 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.442 HH22 HH11 ' B' ' 41' ' ' ARG . 39.4 ptt180 -160.97 167.14 27.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.605 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.409 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 77.1 mtt180 -57.44 145.66 67.19 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.489 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' PRO . . . . . 0.436 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 83.3 Cg_endo -77.96 -26.8 6.31 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.69 2.26 . . . . 0.0 113.838 -178.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' TRP . . . . . 0.409 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 19.1 p90 -90.14 7.74 36.41 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.582 -179.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -109.14 114.26 27.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.944 0.402 . . . . 0.0 110.824 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . 0.616 ' HZ3' ' HB3' ' B' ' 96' ' ' LYS . 3.0 mmmp? -80.27 -16.39 54.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -148.7 94.66 2.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.96 135.26 15.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.893 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -60.62 112.96 6.41 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -78.68 151.52 25.13 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.588 2.192 . . . . 0.0 112.605 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . 0.422 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -79.85 -65.63 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.786 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.462 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 19.0 mt-10 -85.9 -172.54 4.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.768 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.0 p -164.21 155.27 15.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.467 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 60.0 t80 -147.91 146.87 29.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.076 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 46.8 t -163.58 113.19 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.616 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 6.2 t -121.33 118.08 28.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.098 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.82 135.29 53.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . 0.541 HD13 HD11 ' B' ' 86' ' ' LEU . 86.6 mt -144.31 114.4 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.511 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' B' ' 17' ' ' LYS . 25.5 mt-30 -118.87 112.62 19.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.57 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 1.605 HG11 ' CG2' ' B' ' 110' ' ' VAL . 39.5 t -65.57 -86.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.905 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.477 ' HB3' ' HB2' ' B' ' 81' ' ' SER . 25.2 tpt180 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.76 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 58.6 ttp . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.793 0.33 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 174.58 -125.83 1.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.584 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 79.9 p -146.3 148.78 32.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 77.3 p -149.59 -51.0 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -84.58 171.56 12.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -82.31 -35.95 27.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.774 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -103.61 155.32 18.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 66.1 m80 -130.51 150.03 51.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -133.59 -35.77 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 43.6 t60 -81.93 114.06 20.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.774 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 47.9 t -80.77 124.78 29.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.803 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.7 t -131.9 -28.6 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 170.92 -3.06 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.531 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 92.8 mt -87.58 118.51 27.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.763 0.316 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . 1.598 ' CG1' HG22 ' B' ' -6' ' ' VAL . 18.7 m -95.04 149.43 36.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -57.91 136.57 76.01 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.586 2.191 . . . . 0.0 112.188 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -103.86 157.63 16.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.793 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -159.16 173.64 36.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.532 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 80.4 p -144.82 -179.89 6.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -84.35 91.91 7.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 67.2 mtt -144.92 162.12 37.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.749 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -100.72 117.35 34.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.632 ' H ' ' HG2' ' B' ' 22' ' ' GLN . 24.5 mmmt -85.67 154.21 58.72 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.321 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.494 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 22.4 Cg_exo -64.86 -57.99 0.25 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.751 2.301 . . . . 0.0 109.482 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 1.609 ' CG1' HG22 ' B' ' 4' ' ' VAL . 5.9 t -157.5 65.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 113.649 -1.614 . . . . 0.0 109.943 178.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.6 p -51.8 105.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.039 0.447 . . . . 0.0 110.88 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.3 m -72.07 163.1 28.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.566 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 1.599 ' CD2' HD13 ' B' ' 7' ' ' LEU . 61.1 tp -150.78 144.77 25.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.657 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -143.42 -45.49 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.01 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -62.95 170.84 2.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.995 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.98 -45.58 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -74.0 -25.59 59.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -78.83 -2.48 39.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.458 ' SG ' HD12 ' B' ' 7' ' ' LEU . 75.3 m -74.28 -87.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.522 ' O ' ' N ' ' B' ' 16' ' ' LEU . 50.6 m 64.47 165.04 0.12 Allowed Pre-proline 0 C--N 1.333 -0.134 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 51.7 Cg_exo -53.1 78.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.393 2.062 . . . . 0.0 112.148 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' B' ' 14' ' ' SER . 54.4 tp -74.63 129.36 37.59 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.221 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -83.22 108.75 16.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.851 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 1.603 ' CD2' HD13 ' B' ' 18' ' ' LEU . 10.9 mp -99.8 -175.51 2.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.5 m -159.89 149.92 18.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.63 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.643 HE21 ' HA ' ' B' ' 80' ' ' ALA . 91.1 mt-30 -55.79 104.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 134.91 5.89 2.36 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.481 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.632 ' HG2' ' H ' ' B' ' 2' ' ' LYS . 18.2 mt-30 -110.6 132.03 54.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.835 0.35 . . . . 0.0 110.72 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' B' ' 3' ' ' PRO . 40.6 mt-10 -109.9 171.03 7.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.091 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 1.605 HD12 ' CD2' ' B' ' 24' ' ' LEU . 8.0 tt -161.61 144.23 12.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.989 0.423 . . . . 0.0 111.599 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 1.603 ' CG1' HG21 ' B' ' 25' ' ' VAL . 93.9 t -136.52 108.1 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.46 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.438 HD22 HD22 ' B' ' 28' ' ' LEU . 37.6 tp -78.31 146.65 34.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.363 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.6 m -106.05 109.44 21.38 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.942 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.654 ' N ' ' HD2' ' B' ' 29' ' ' PRO . 3.1 mm? -106.65 -19.38 0.17 Allowed Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.654 ' HD2' ' N ' ' B' ' 28' ' ' LEU . 42.7 Cg_exo -32.05 104.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 122.475 2.117 . . . . 0.0 113.127 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 22.8 t -113.68 -74.48 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.886 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . 0.512 HD21 HG22 ' B' ' 34' ' ' THR . 2.1 p-10 -168.96 87.67 0.63 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . 0.441 ' O ' HG21 ' B' ' 34' ' ' THR . 23.6 Cg_exo -64.24 -172.68 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.597 2.198 . . . . 0.0 112.34 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 37.8 p 53.94 21.3 2.77 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.652 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.512 HG22 HD21 ' B' ' 31' ' ' ASN . 61.1 p -115.86 -61.82 1.68 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.929 0.395 . . . . 0.0 111.066 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.05 -37.3 1.34 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.395 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -87.43 105.2 17.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.952 0.406 . . . . 0.0 111.16 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -115.09 -167.53 1.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.921 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.401 ' CZ3' ' HB2' ' B' ' 90' ' ' TYR . 92.6 m95 -110.06 101.5 10.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.997 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -81.66 135.9 35.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.647 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 tt -87.6 111.23 21.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.893 0.378 . . . . 0.0 110.77 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -79.5 -62.04 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.146 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.414 ' HB3' ' HB2' ' B' ' 87' ' ' GLU . 57.4 t30 -125.58 102.53 29.27 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.995 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -80.21 4.06 7.12 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.554 2.169 . . . . 0.0 112.854 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.428 ' HB1' HD21 ' B' ' 48' ' ' LEU . . . 54.64 27.37 8.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.59 -11.85 2.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.564 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.7 t -61.22 -30.11 70.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.291 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 26.4 m -131.91 -15.36 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.681 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 1.607 HD11 ' CD2' ' B' ' 48' ' ' LEU . 78.8 mt -106.84 142.53 36.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 0.0 111.319 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.42 ' CG ' ' H ' ' B' ' 50' ' ' ARG . 0.3 OUTLIER -125.35 -150.45 0.45 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.167 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.42 ' H ' ' CG ' ' B' ' 49' ' ' LYS . 0.6 OUTLIER 61.16 20.75 11.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.941 0.401 . . . . 0.0 111.02 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 1.575 ' CD2' HD11 ' B' ' 51' ' ' LEU . 3.9 mt -76.36 -171.58 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.841 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.94 -176.43 44.34 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.54 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.91 177.48 6.33 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.581 2.188 . . . . 0.0 112.344 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -90.11 142.44 27.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 7.1 p -80.81 127.71 39.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.043 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -173.08 148.0 1.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.795 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 41.5 t -144.95 142.06 29.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -119.79 -16.98 8.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 79.1 p -80.1 -0.75 37.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.64 107.28 0.43 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.171 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -69.31 -54.89 12.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.537 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -96.13 167.41 11.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.345 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 59.1 m -57.42 98.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -106.71 76.6 0.23 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.125 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 28.2 mt -123.47 89.45 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.162 0.506 . . . . 0.0 110.793 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 58.1 t -139.08 -67.41 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -176.13 19.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.517 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 42.6 m -136.46 -12.01 1.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.28 98.56 0.34 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.456 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.92 -163.75 18.43 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.424 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.426 ' HG2' ' HB3' ' B' ' 29' ' ' PRO . 2.3 mp0 57.97 -174.6 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.905 0.383 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 70.0 m -128.49 131.74 48.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.59 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 62.5 m -138.8 136.91 36.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.283 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -129.04 127.29 41.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.829 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -123.69 140.63 52.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.772 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.403 ' HA ' ' O ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -150.8 171.81 16.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.95 0.405 . . . . 0.0 110.942 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.493 ' HD2' ' N ' ' B' ' 78' ' ' VAL . 3.4 tmm_? -154.87 135.96 13.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.349 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 1.609 HG23 ' CG1' ' B' ' 78' ' ' VAL . 46.6 t -55.95 111.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.245 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.69 -23.03 12.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.414 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.643 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -160.88 155.82 24.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.168 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.511 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 55.4 p -64.13 -175.57 0.16 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.019 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.62 159.91 11.28 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.606 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -105.87 126.13 51.81 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.724 0.297 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -144.79 -171.4 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . 0.431 ' HG3' ' HA ' ' B' ' 107' ' ' ALA . 79.3 ttt180 -162.19 126.31 3.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.952 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 1.607 HD11 ' CD2' ' B' ' 86' ' ' LEU . 14.0 mt -72.62 143.03 48.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 110.875 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.414 ' HB2' ' HB3' ' B' ' 42' ' ' ASN . 69.1 mm-40 -139.0 111.42 7.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.3 mp -127.48 122.18 32.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 110.737 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 1.595 HG21 ' CG1' ' B' ' 89' ' ' VAL . 11.3 p -104.86 160.37 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.175 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' TYR . . . . . 0.401 ' HB2' ' CZ3' ' B' ' 38' ' ' TRP . 58.5 t80 -108.68 104.53 13.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.084 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.541 ' HD3' ' HB3' ' B' ' 100' ' ' PRO . 38.1 ptt180 -175.69 159.55 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.665 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.526 ' HB3' ' NE1' ' B' ' 94' ' ' TRP . 91.3 mtt180 -51.78 108.87 1.17 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.085 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -79.15 35.4 0.56 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.784 2.323 . . . . 0.0 114.603 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' TRP . . . . . 0.526 ' NE1' ' HB3' ' B' ' 92' ' ' ARG . 25.9 p-90 -131.55 -11.41 3.52 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.453 ' HG2' ' CZ3' ' B' ' 94' ' ' TRP . 32.5 mt-10 -72.13 -173.05 0.98 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.094 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -110.02 -41.11 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.502 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -172.66 93.31 0.12 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.654 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -126.56 165.82 18.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.108 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -81.11 116.85 65.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . 0.541 ' HB3' ' HD3' ' B' ' 91' ' ' ARG . 94.7 Cg_endo -78.39 170.25 18.76 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.66 2.24 . . . . 0.0 112.497 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.45 -54.79 2.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.963 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -107.12 -176.53 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.087 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 37.1 m -161.78 172.76 15.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.754 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -165.67 145.65 6.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.691 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 93.0 p -170.43 137.87 1.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.103 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' B' ' 13' ' ' CYS . 96.9 m -145.65 136.56 24.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.035 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.431 ' HA ' ' HG3' ' B' ' 85' ' ' ARG . . . -73.03 139.33 46.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.269 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . 0.558 HD11 ' HG ' ' B' ' 86' ' ' LEU . 83.0 mt -142.94 112.82 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -133.08 124.82 28.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.586 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 1.6 HG23 ' CG1' ' B' ' 110' ' ' VAL . 43.6 t -66.01 -85.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.144 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.829 179.882 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' -20' ' ' MET . . . . . 0.47 ' HA ' ' HE3' ' B' ' -20' ' ' MET . 30.9 mmt . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.813 0.34 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 152.77 52.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 80.3 p -141.44 -42.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.671 0.272 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 79.7 p -95.85 114.37 26.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -100.66 176.76 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -95.45 -39.3 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 -138.62 164.23 30.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -109.53 139.84 44.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.796 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -116.71 118.73 33.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.753 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -80.24 -66.43 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.6 p -161.05 144.12 12.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.7 t -83.56 -19.08 36.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 142.96 142.63 4.03 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.26 114.98 5.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.373 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . 1.598 HG23 ' CG1' ' B' ' -6' ' ' VAL . 58.3 t -88.96 129.2 49.17 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.999 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' -5' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' -6' ' ' VAL . 27.6 Cg_exo -61.53 -32.7 88.2 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.532 2.155 . . . . 0.0 112.274 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' -4' ' ' ARG . . . . . 0.44 ' H ' HG23 ' B' ' -6' ' ' VAL . 26.3 mmm180 -90.43 144.6 25.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 132.22 -78.37 0.37 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.527 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 49.1 m -138.76 176.98 8.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -133.05 -29.99 1.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.561 ' HB3' HH12 ' B' ' 77' ' ' ARG . 26.8 ptt? -67.12 173.24 3.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -133.4 -74.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.826 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.522 ' C ' ' H ' ' B' ' 4' ' ' VAL . 32.1 mmmt -80.65 149.41 67.86 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-O 121.169 0.509 . . . . 0.0 111.661 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -81.69 33.56 0.53 Allowed 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 123.624 2.883 . . . . 0.0 109.862 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 1.591 ' CG2' HG12 ' B' ' 4' ' ' VAL . 35.5 t 92.76 67.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 113.54 -1.664 . . . . 0.0 109.473 -178.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.456 ' O ' HG12 ' B' ' 5' ' ' VAL . 7.7 p -54.4 107.78 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.142 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.509 HG21 HG12 ' B' ' 25' ' ' VAL . 1.9 m -66.07 162.04 20.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.095 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 1.599 ' CD1' HD23 ' B' ' 7' ' ' LEU . 63.8 tp -134.96 146.46 49.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.973 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -157.38 11.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.757 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -125.26 -175.28 3.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.702 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.73 6.68 9.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -122.82 -28.57 4.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -84.23 13.31 5.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.461 ' HB3' ' HB3' ' B' ' 106' ' ' CYS . 10.9 m -76.68 0.53 20.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.044 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.537 ' O ' ' HA ' ' B' ' 108' ' ' ILE . 50.6 m 65.62 68.33 0.69 Allowed Pre-proline 0 N--CA 1.453 -0.305 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . 0.443 ' HA ' ' C ' ' B' ' 107' ' ' ALA . 50.2 Cg_endo -69.48 32.44 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.059 2.506 . . . . 0.0 112.805 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.552 ' HA ' ' HB2' ' B' ' 109' ' ' GLN . 2.8 pp -174.38 -154.02 0.05 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' B' ' 109' ' ' GLN . 11.4 mtpp -33.43 104.75 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.805 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 1.592 HD22 ' CD1' ' B' ' 18' ' ' LEU . 13.6 tp -104.07 176.86 5.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.783 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.4 ' H ' ' HG ' ' B' ' 18' ' ' LEU . 71.8 p -119.6 112.98 20.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.943 0.401 . . . . 0.0 111.643 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.438 ' HA ' ' HB ' ' B' ' 78' ' ' VAL . 59.6 mt-30 -58.13 124.26 18.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.555 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.73 -13.94 9.22 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.217 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.484 ' HG2' ' H ' ' B' ' 2' ' ' LYS . 11.9 mt-30 -83.69 132.84 34.84 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.345 0.593 . . . . 0.0 110.753 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.424 ' CB ' HG13 ' B' ' 4' ' ' VAL . 30.7 mt-10 -98.31 169.29 9.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.204 179.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 1.609 ' CD1' HD21 ' B' ' 24' ' ' LEU . 8.3 tt -158.82 152.42 23.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.114 0.483 . . . . 0.0 111.851 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 1.601 ' CG1' HG22 ' B' ' 25' ' ' VAL . 3.2 m -143.42 145.49 22.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.647 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 60.0 tp -141.4 137.81 32.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.933 0.397 . . . . 0.0 111.011 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 86.6 m -132.36 126.89 34.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.991 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 85.6 mt -134.85 149.68 71.26 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.734 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.467 ' HB3' ' HB ' ' B' ' 66' ' ' VAL . 63.3 Cg_endo -73.06 145.93 40.47 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.505 2.137 . . . . 0.0 112.139 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 85.2 p -154.39 -24.35 0.13 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 61.58 103.32 0.03 OUTLIER Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.704 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . 0.425 ' HA ' ' NH2' ' B' ' 37' ' ' ARG . 52.1 Cg_exo -53.06 145.06 43.77 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.436 2.091 . . . . 0.0 112.514 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 33.8 m 56.98 81.29 0.14 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.387 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 26.1 p -147.11 -61.22 0.28 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.129 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.12 -46.76 0.63 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.159 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . 0.413 ' CD2' ' HA ' ' B' ' 91' ' ' ARG . 6.6 m-85 -94.89 106.82 18.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.467 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 23.5 mmt180 -104.93 -158.32 0.66 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.928 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.467 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 86.1 m95 -122.41 109.83 14.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.445 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -92.13 122.88 35.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.071 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.21 100.01 12.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.437 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.408 ' HA ' ' NE ' ' B' ' 41' ' ' ARG . 4.3 mmp_? -69.94 -63.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.211 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.553 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 50.4 t-20 -111.98 97.22 37.39 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.023 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -78.46 -0.48 10.75 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.507 2.138 . . . . 0.0 112.444 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.03 22.33 5.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.1 -8.9 3.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.223 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.0 t -69.3 -29.74 67.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.429 HG22 ' HG ' ' B' ' 48' ' ' LEU . 35.1 m -130.85 -43.53 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.526 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 1.604 HD13 ' CD2' ' B' ' 48' ' ' LEU . 18.2 mt -84.86 114.8 22.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.579 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -73.99 137.03 43.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -81.77 153.73 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.277 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 1.605 ' CD1' HD21 ' B' ' 51' ' ' LEU . 80.3 mt -120.02 93.18 3.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.64 167.23 1.96 Allowed Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.78 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -58.44 -170.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.848 2.366 . . . . 0.0 112.551 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.06 -6.18 49.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.114 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 49.3 t 65.75 131.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.304 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -165.27 128.67 2.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.756 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -103.3 150.84 23.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.943 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -102.1 -3.61 27.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.9 t -79.33 165.52 23.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -81.77 137.32 35.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -132.73 135.86 46.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -136.57 109.94 7.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 57.6 m -153.53 -176.02 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.54 55.99 5.01 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.488 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.9 mt -97.48 175.0 6.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.881 0.372 . . . . 0.0 110.94 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.467 ' HB ' ' HB3' ' B' ' 29' ' ' PRO . 23.6 t -78.93 -24.91 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -117.82 -174.12 16.5 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.446 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 67.9 p -139.53 105.86 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.733 0.302 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.25 -57.81 0.7 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.456 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -154.81 -172.64 22.78 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.445 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -159.69 135.85 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.367 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 80.5 p -73.11 125.42 27.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.715 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 56.7 m -128.31 142.15 51.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 16.6 m-90 -125.76 154.24 42.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.785 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.48 ' HG2' HD23 ' B' ' 51' ' ' LEU . 76.4 ttt180 -150.16 131.74 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.472 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -138.54 164.91 28.23 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.114 0.483 . . . . 0.0 111.722 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.592 ' HB2' HD22 ' B' ' 51' ' ' LEU . 4.1 tpp180 -147.54 128.2 14.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.325 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 1.604 HG21 ' CG1' ' B' ' 78' ' ' VAL . 6.5 t -78.74 120.34 29.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.481 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.56 -43.61 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.45 177.82 7.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.096 0.475 . . . . 0.0 111.76 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.696 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 10.3 p -82.76 -168.88 2.21 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.006 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 117.4 154.94 10.04 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.363 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.94 120.65 30.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -139.43 172.29 13.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -160.06 104.5 1.51 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.414 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.446 ' HG ' HD13 ' B' ' 88' ' ' LEU . 8.1 tp -61.12 136.72 58.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.684 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.553 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 16.6 mt-10 -136.57 120.46 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.203 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.446 HD13 ' HG ' ' B' ' 86' ' ' LEU . 4.5 mp -135.78 151.92 50.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.659 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 23.7 m -143.55 166.45 13.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.098 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' TYR . . . . . 0.58 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 56.6 t80 -117.36 102.48 9.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.42 ' HB3' ' HA ' ' B' ' 100' ' ' PRO . 38.1 ptt180 -166.57 177.98 6.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.726 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.484 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 72.3 mtt180 -53.85 121.55 29.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.407 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' PRO . . . . . 0.466 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 73.5 Cg_endo -72.78 5.94 2.68 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.65 2.233 . . . . 0.0 113.588 -178.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' TRP . . . . . 0.484 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 18.5 p90 -114.19 12.97 17.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.917 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -110.14 155.73 21.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.026 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -94.96 -53.92 3.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.567 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -140.0 101.14 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -133.11 -170.86 2.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -104.03 97.26 10.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . 0.42 ' HA ' ' HB3' ' B' ' 91' ' ' ARG . 59.6 Cg_endo -72.37 136.77 27.02 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.414 2.076 . . . . 0.0 112.525 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.0 -44.74 95.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.046 0.451 . . . . 0.0 110.986 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.58 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 17.9 mt-10 -109.24 -173.04 2.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.595 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.0 p -173.14 154.07 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.717 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -155.51 110.34 2.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 91.9 p -120.59 148.55 43.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' CYS . . . . . 0.461 ' HB3' ' HB3' ' B' ' 13' ' ' CYS . 53.3 m -151.81 133.08 14.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.124 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.486 ' O ' HG13 ' B' ' 108' ' ' ILE . . . -98.73 151.44 20.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . 0.537 ' HA ' ' O ' ' B' ' 14' ' ' SER . 96.3 mt -157.86 111.68 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.494 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . 0.552 ' HB2' ' HA ' ' B' ' 16' ' ' LEU . 21.9 mt-30 -112.96 103.8 11.77 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 1.609 HG23 ' CG1' ' B' ' 110' ' ' VAL . 3.3 t -90.49 148.36 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.082 0.467 . . . . 0.0 111.486 -179.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.575 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 25.0 tpt180 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.816 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 94.3 mmm . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.725 0.298 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -148.56 12.37 1.16 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.569 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 52.7 m -93.35 139.43 30.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.781 0.324 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 47.4 t -119.16 105.44 11.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -139.79 146.21 39.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -94.4 -178.34 4.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -63.79 -41.6 97.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.775 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -160.39 115.77 2.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.786 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -79.92 128.24 33.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -70.18 124.57 24.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.3 p -115.13 152.11 33.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 81.9 p -88.82 178.48 6.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 159.87 29.22 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.627 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 89.4 mt -94.55 10.43 34.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 0.0 110.922 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 39.7 t -96.21 109.38 46.93 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -64.56 -172.73 0.2 Allowed 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.485 2.123 . . . . 0.0 112.445 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -81.45 -48.86 11.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 82.2 84.27 0.81 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 80.3 p -85.61 117.7 24.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.985 0.421 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -151.83 -39.02 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.808 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 51.4 ttm -112.45 142.3 45.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -77.58 -168.43 1.18 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.599 ' N ' ' HD2' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -91.44 122.07 66.52 Favored Pre-proline 0 CA--C 1.518 -0.277 0 CA-C-O 120.686 0.279 . . . . 0.0 111.426 -179.749 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 27.9 Cg_exo -64.53 -8.9 18.49 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.443 2.095 . . . . 0.0 110.033 178.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.628 ' HB ' ' HB2' ' B' ' 23' ' ' GLU . 5.8 p 168.02 83.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 114.054 -1.43 . . . . 0.0 111.306 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 1.597 ' CG2' HG12 ' B' ' 5' ' ' VAL . 0.3 OUTLIER -58.53 144.47 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.298 179.255 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.54 171.01 8.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.056 0.455 . . . . 0.0 112.15 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 74.5 mt -147.78 -177.23 5.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.635 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -178.3 -24.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.034 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -120.92 126.89 51.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.55 -36.9 83.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.21 -32.24 73.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.779 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -76.92 -9.16 58.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 91.1 m -84.46 139.14 32.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.024 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.552 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 13.5 m -156.09 164.1 22.54 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.055 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . 0.552 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 15.7 Cg_endo -58.07 80.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.113 1.875 . . . . 0.0 111.44 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' B' ' 14' ' ' SER . 57.3 tp -81.3 142.21 33.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.966 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' B' ' 109' ' ' GLN . 23.5 mtpp -83.55 99.35 10.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.342 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.404 HD11 HG12 ' B' ' 78' ' ' VAL . 0.5 OUTLIER -86.51 -169.02 2.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.602 -179.303 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -168.29 139.04 2.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.682 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' B' ' 80' ' ' ALA . 71.4 mt-30 -56.24 118.07 4.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.778 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.422 ' HA3' ' NH2' ' B' ' 77' ' ' ARG . . . 136.27 -17.41 3.8 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.198 -179.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.481 ' O ' ' HD2' ' B' ' 77' ' ' ARG . 19.0 mt-30 -96.29 165.73 12.07 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 120.944 0.402 . . . . 0.0 110.104 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.628 ' HB2' ' HB ' ' B' ' 4' ' ' VAL . 32.8 mt-10 -122.55 -175.51 3.16 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.181 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 1.607 HD11 ' CD2' ' B' ' 24' ' ' LEU . 4.1 tt -162.8 99.84 1.0 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.651 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.519 HG11 ' HG2' ' B' ' 75' ' ' ARG . 95.7 t -113.93 98.02 6.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.532 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 14.1 tp -90.49 159.3 16.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.04 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.424 HG23 HG22 ' B' ' 66' ' ' VAL . 82.1 m -153.16 118.47 5.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 1.589 HD12 ' CD2' ' B' ' 28' ' ' LEU . 3.7 mm? -115.04 150.22 43.86 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -83.17 118.56 2.66 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.639 2.226 . . . . 0.0 112.257 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 80.1 p -153.09 117.03 4.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.955 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . 0.403 ' HB2' HG22 ' B' ' 34' ' ' THR . 2.4 m-20 -70.5 130.45 89.06 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.677 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -77.15 9.28 2.84 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.773 2.316 . . . . 0.0 112.61 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 75.8 p -113.59 10.19 18.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.251 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.403 HG22 ' HB2' ' B' ' 31' ' ' ASN . 41.7 p -96.8 -72.65 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.329 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.64 -27.05 2.23 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.908 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -93.42 101.45 13.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.108 0.48 . . . . 0.0 110.999 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.459 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 6.9 mpt_? -94.76 -155.5 0.47 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.703 179.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.459 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 93.3 m95 -124.49 125.34 44.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -104.59 160.94 14.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.262 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.516 HD21 ' HG ' ' B' ' 88' ' ' LEU . 20.0 mt -113.21 109.65 19.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.207 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.474 HH11 HH22 ' B' ' 91' ' ' ARG . 21.9 mmm180 -85.33 -13.65 48.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.074 0.464 . . . . 0.0 110.198 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.589 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 53.3 t-20 -163.47 88.27 1.23 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.23 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -73.14 6.09 2.75 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.582 2.188 . . . . 0.0 112.814 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.437 ' HB1' HD21 ' B' ' 48' ' ' LEU . . . 57.53 27.69 14.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.981 0.419 . . . . 0.0 110.989 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.72 -4.09 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.397 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 53.0 m -76.79 -33.27 58.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.181 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 18.7 m -130.46 -40.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.761 0.315 . . . . 0.0 111.517 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 1.599 HD12 ' CD2' ' B' ' 48' ' ' LEU . 38.3 mt -77.13 155.96 31.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.06 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.448 ' CG ' ' H ' ' B' ' 50' ' ' ARG . 0.3 OUTLIER -133.87 -161.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.453 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.534 ' HB2' ' HB3' ' B' ' 77' ' ' ARG . 6.5 tpm_? 59.65 19.75 8.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.054 0.455 . . . . 0.0 110.601 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 1.605 HD22 ' CD1' ' B' ' 51' ' ' LEU . 4.2 mm? -45.15 -43.84 10.25 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.884 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.99 -179.36 18.81 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.583 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -79.01 -171.1 1.15 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.779 2.319 . . . . 0.0 112.492 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -93.19 131.11 38.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.69 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 8.3 p -68.05 130.6 33.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 54.94 94.38 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.138 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.5 p -160.64 -14.79 0.05 OUTLIER 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -91.72 179.66 5.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 80.0 p -81.48 162.3 23.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 60.69 104.83 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.117 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -60.83 111.68 1.74 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.962 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -78.24 155.52 30.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.668 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.1 m -85.12 40.6 0.83 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.999 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.1 45.03 2.92 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.26 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.438 HD21 ' HA3' ' B' ' 69' ' ' GLY . 43.1 mt -60.71 147.49 42.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.795 0.331 . . . . 0.0 110.97 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 1.59 ' CG1' HG21 ' B' ' 66' ' ' VAL . 59.2 t -113.37 -30.04 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.78 -101.6 0.18 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.596 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 75.3 p -60.03 -42.1 93.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.733 0.301 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . 0.438 ' HA3' HD21 ' B' ' 65' ' ' LEU . . . 143.36 89.48 0.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.83 89.53 1.84 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.544 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -142.17 148.67 38.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.754 0.311 . . . . 0.0 110.808 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 54.3 m -63.77 151.32 42.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 61.4 m -136.48 130.4 32.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.167 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.413 ' O ' ' HA ' ' B' ' 25' ' ' VAL . 73.4 m95 -127.33 129.51 47.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.621 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.519 ' HG2' HG11 ' B' ' 25' ' ' VAL . 96.4 mtt180 -135.85 132.98 37.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.527 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 6.2 m-85 -147.11 168.18 22.26 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.513 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.534 ' HB3' ' HB2' ' B' ' 50' ' ' ARG . 9.4 tpt180 -145.98 133.41 20.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.471 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 1.597 ' CG1' HG22 ' B' ' 78' ' ' VAL . 24.5 t -68.51 110.36 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.887 0.375 . . . . 0.0 110.736 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.34 -47.91 4.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.579 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.402 ' HA ' ' NE2' ' B' ' 20' ' ' GLN . . . -133.58 157.9 44.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.192 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.613 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 51.8 p -71.25 -170.74 0.51 Allowed 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.38 163.81 12.27 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.586 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . 0.453 ' HB3' HE21 ' B' ' 109' ' ' GLN . 3.2 p-10 -98.93 110.03 22.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 110.94 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -123.65 -176.79 3.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.723 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -159.82 113.23 2.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 1.605 HD13 ' CD2' ' B' ' 86' ' ' LEU . 0.5 OUTLIER -66.76 137.13 56.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.647 179.714 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.589 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 27.6 mt-10 -135.55 120.8 19.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.986 0.422 . . . . 0.0 111.214 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.603 HD12 HD23 ' B' ' 86' ' ' LEU . 4.2 mp -133.98 152.28 51.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.314 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' B' ' 103' ' ' SER . 19.1 m -140.87 163.15 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 111.124 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -106.81 101.98 11.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.184 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.474 HH22 HH11 ' B' ' 41' ' ' ARG . 39.3 ptt180 -164.84 172.12 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.649 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.497 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 72.6 mtt180 -58.82 138.85 86.88 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.438 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' PRO . . . . . 0.436 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 89.6 Cg_endo -79.23 -15.12 12.93 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.546 2.164 . . . . 0.0 113.277 -178.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' TRP . . . . . 0.497 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 6.4 p90 -94.2 9.42 38.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.671 0.272 . . . . 0.0 111.307 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -112.27 116.29 30.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.948 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -69.72 -38.65 76.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -140.42 101.87 4.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.793 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.63 135.26 16.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.41 110.33 2.28 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.797 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . 0.418 ' HB3' ' HD3' ' B' ' 91' ' ' ARG . 78.1 Cg_endo -78.32 152.56 27.1 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.338 2.025 . . . . 0.0 112.37 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.64 -69.38 0.52 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.681 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -90.6 -165.25 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.012 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' B' ' 89' ' ' VAL . 43.3 t -171.23 165.95 7.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.961 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -168.93 106.47 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 79.7 p -129.25 141.99 50.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.847 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 85.9 m -134.88 153.61 51.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.274 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.97 141.32 31.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . 0.54 HD13 HD11 ' B' ' 86' ' ' LEU . 96.0 mt -144.95 121.51 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.077 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . 0.453 HE21 ' HB3' ' B' ' 83' ' ' ASP . 54.0 mt-30 -135.62 106.98 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.728 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 1.598 ' CG2' HG12 ' B' ' 110' ' ' VAL . 21.4 t -65.46 -79.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.127 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.485 ' HG2' HG21 ' B' ' 110' ' ' VAL . 37.3 mmt180 . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.146 -0.93 . . . . 0.0 111.066 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.821 0.343 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 169.99 -148.12 11.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 47.1 t -90.45 -15.96 29.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 48.0 t -85.32 103.26 14.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -166.31 112.93 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.801 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -138.95 -1.51 1.78 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -69.97 111.06 5.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -147.24 104.12 3.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -139.38 134.6 32.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -84.62 138.98 32.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.1 p -99.81 170.82 8.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 78.6 p -150.69 128.79 11.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -84.32 69.54 3.32 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.454 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 91.1 mt -79.78 116.45 19.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . 1.602 ' CG1' HG22 ' B' ' -6' ' ' VAL . 96.7 t -77.22 -48.31 2.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.495 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' -5' ' ' PRO . . . . . 0.549 ' HD3' ' HB ' ' B' ' -6' ' ' VAL . 24.6 Cg_exo -62.7 136.58 58.77 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.207 1.938 . . . . 0.0 112.227 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -135.05 6.21 3.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -119.71 138.33 13.14 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.545 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 79.0 p -95.26 114.42 26.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.692 0.282 . . . . 0.0 110.989 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 66.1 m80 -136.14 177.2 8.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 26.6 mmt -88.02 10.77 17.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -72.47 98.44 2.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.523 ' HB2' HG13 ' B' ' 5' ' ' VAL . 25.0 mmmt -117.56 144.4 34.12 Favored Pre-proline 0 CA--C 1.518 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.51 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.509 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 51.9 Cg_exo -55.04 -31.06 73.04 Favored 'Trans proline' 0 CA--C 1.507 -0.845 0 C-N-CA 122.587 2.192 . . . . 0.0 109.967 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 1.603 ' CG2' HG12 ' B' ' 4' ' ' VAL . 92.8 t -155.65 84.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 113.668 -1.605 . . . . 0.0 110.337 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.523 HG13 ' HB2' ' B' ' 2' ' ' LYS . 3.2 m -62.62 156.65 4.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 110.21 -0.292 . . . . 0.0 110.21 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.41 151.1 39.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.814 0.34 . . . . 0.0 111.662 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 1.594 ' CD2' HD13 ' B' ' 7' ' ' LEU . 68.2 tp -141.65 154.32 45.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.71 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -163.1 15.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . 0.413 ' HB2' ' HB2' ' B' ' 12' ' ' ASP . 10.0 m-20 -132.42 -177.95 4.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.75 -43.91 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -84.51 -27.12 27.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.413 ' HB2' ' HB2' ' B' ' 9' ' ' ASP . 10.0 m-20 -81.08 10.65 4.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.029 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.444 ' HB3' ' HB3' ' B' ' 106' ' ' CYS . 99.3 m -77.39 -80.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.486 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.66 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 40.2 m 67.54 169.12 0.11 Allowed Pre-proline 0 N--CA 1.461 0.079 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . 0.66 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 7.4 Cg_endo -48.49 81.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.03 1.82 . . . . 0.0 111.769 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 1.601 HD22 ' CD1' ' B' ' 16' ' ' LEU . 11.0 mt -55.11 -168.09 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.368 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.513 ' HD3' HG21 ' B' ' 108' ' ' ILE . 5.3 mptp? 53.6 -154.94 0.23 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.436 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 1.605 ' CD1' HD23 ' B' ' 18' ' ' LEU . 17.0 tp 174.39 -51.67 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.484 0.659 . . . . 0.0 110.83 -178.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.476 HG22 ' HD3' ' B' ' 111' ' ' ARG . 49.0 m -153.49 145.49 23.66 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.684 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -51.02 148.25 4.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.449 ' HA3' ' NH2' ' B' ' 77' ' ' ARG . . . 108.39 11.73 22.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.344 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -119.32 162.95 17.9 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.539 ' HB2' HG13 ' B' ' 4' ' ' VAL . 38.8 mt-10 -138.61 -171.59 3.1 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.424 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.503 ' HG ' ' N ' ' B' ' 25' ' ' VAL . 0.8 OUTLIER -158.39 145.59 17.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.535 179.684 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 1.6 ' CG2' HG12 ' B' ' 25' ' ' VAL . 48.5 t -139.93 100.49 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.165 179.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.2 tp -103.57 146.56 28.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.339 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 58.7 m -142.54 108.04 5.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.7 mt -119.44 156.38 53.23 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.027 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -80.21 149.44 19.58 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.547 2.165 . . . . 0.0 112.289 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.9 p -154.49 -32.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 60.16 101.81 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.75 -9.87 12.76 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.48 2.12 . . . . 0.0 112.341 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 48.2 m -73.3 -29.07 62.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.269 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 45.3 p -74.03 -72.75 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.362 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.85 -23.9 2.75 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.958 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -87.19 97.84 10.99 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.408 0.623 . . . . 0.0 111.041 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -88.55 -155.85 0.35 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.306 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -126.06 119.4 27.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.775 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -96.71 150.49 20.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.573 HD21 ' HG ' ' B' ' 88' ' ' LEU . 68.8 mt -101.89 103.29 13.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.298 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.484 ' HD3' HH21 ' B' ' 91' ' ' ARG . 29.9 mmm180 -81.68 -14.81 56.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.223 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.567 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 56.3 t-20 -166.75 86.87 0.84 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.487 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.0 18.49 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.478 2.118 . . . . 0.0 112.627 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.15 26.17 9.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.25 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.27 -9.36 4.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.183 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 51.0 m -68.62 -33.67 74.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.442 ' HA ' ' HB3' ' B' ' 80' ' ' ALA . 30.4 m -129.17 -45.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.579 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 1.57 HD13 ' CD2' ' B' ' 48' ' ' LEU . 13.4 mt -81.85 134.58 35.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.984 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -91.08 138.44 31.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.68 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -83.9 137.92 33.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.404 ' N ' HD13 ' B' ' 51' ' ' LEU . 7.5 mp -83.49 -29.84 27.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.77 -168.39 13.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.495 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.31 114.98 3.81 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.633 2.222 . . . . 0.0 112.261 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -151.4 117.11 5.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.715 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.463 HG13 ' HB ' ' B' ' 73' ' ' THR . 18.5 m -138.41 -179.06 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 59.22 23.61 11.97 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.046 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.43 ' HB3' HH21 ' B' ' 75' ' ' ARG . 49.3 m -59.91 149.21 32.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.97 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -130.26 121.53 26.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.013 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 54.1 m -147.47 -61.57 0.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -132.31 148.82 52.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -67.79 -39.28 84.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -92.32 102.97 15.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 52.8 m -151.49 -7.36 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.51 8.99 10.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.609 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 75.7 mt -61.16 125.43 23.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.736 0.303 . . . . 0.0 110.836 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 1.6 HG12 ' CG2' ' B' ' 66' ' ' VAL . 14.7 p -82.3 -24.03 9.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.954 0.407 . . . . 0.0 111.113 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -157.53 -118.39 0.55 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.508 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 73.2 p -141.53 3.25 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.319 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.45 -41.87 94.09 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.439 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 134.28 -42.86 1.31 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 58.2 -177.98 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.8 0.333 . . . . 0.0 111.227 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 46.0 t -70.38 149.82 46.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' THR . . . . . 0.463 ' HB ' HG13 ' B' ' 55' ' ' VAL . 89.0 m -141.17 131.11 24.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.97 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.461 ' O ' ' HA ' ' B' ' 25' ' ' VAL . 11.2 m-90 -123.19 133.27 54.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.333 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.55 ' HG2' HG13 ' B' ' 25' ' ' VAL . 87.5 mtt180 -129.79 123.35 30.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.546 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -133.41 150.12 51.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.039 0.447 . . . . 0.0 111.61 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.449 ' NH2' ' HA3' ' B' ' 21' ' ' GLY . 12.7 tpt180 -127.25 153.65 45.85 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.329 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 1.565 HG21 ' CG1' ' B' ' 78' ' ' VAL . 11.3 t -105.92 115.17 47.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.814 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -128.2 -12.38 5.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.585 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.475 ' O ' HG12 ' B' ' 110' ' ' VAL . . . -124.15 156.34 36.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.372 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.664 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 10.7 p -94.0 179.4 5.34 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.497 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.54 170.25 29.08 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.351 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.08 162.11 14.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.999 0.428 . . . . 0.0 110.971 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.452 ' OD1' ' HB ' ' B' ' 108' ' ' ILE . 8.5 p-10 -166.62 -176.41 3.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.052 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -157.88 116.98 3.21 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.752 0.311 . . . . 0.0 111.157 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 12.7 tp -73.66 132.6 42.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.34 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.567 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 23.5 mt-10 -127.25 127.39 44.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 0.0 111.538 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.573 ' HG ' HD21 ' B' ' 40' ' ' LEU . 5.2 mp -136.17 156.67 48.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.438 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 34.1 m -141.44 157.82 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 111.224 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -104.74 93.37 4.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.54 ' HD3' ' HG3' ' B' ' 100' ' ' PRO . 37.8 ptt180 -163.7 -175.13 3.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.087 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.448 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 65.3 mtt180 -81.34 122.8 81.47 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 21.5 Cg_exo -66.28 -13.23 38.98 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.936 2.424 . . . . 0.0 113.602 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' TRP . . . . . 0.448 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 39.3 p90 -100.09 21.75 12.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.349 . . . . 0.0 111.123 -179.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.405 ' HB3' ' HB3' ' B' ' 98' ' ' ALA . 10.9 mm-40 -122.22 109.99 15.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.02 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -65.56 103.26 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 55.46 79.92 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.1 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' B' ' 95' ' ' GLU . . . -120.95 136.82 54.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.754 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -49.13 106.03 0.58 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.203 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . 0.54 ' HG3' ' HD3' ' B' ' 91' ' ' ARG . 2.2 Cg_endo -84.23 143.31 10.07 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.983 2.455 . . . . 0.0 112.21 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.16 -61.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.779 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.425 ' HB3' ' H ' ' B' ' 103' ' ' SER . 4.2 mm-40 -98.25 -163.25 1.02 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.36 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' SER . . . . . 0.425 ' H ' ' HB3' ' B' ' 102' ' ' GLU . 80.7 p -174.66 158.16 2.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.049 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.495 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 46.6 t80 -147.84 145.5 28.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.812 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 45.6 t -165.18 131.85 2.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' CYS . . . . . 0.444 ' HB3' ' HB3' ' B' ' 13' ' ' CYS . 90.8 m -149.62 147.06 27.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.68 156.95 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.747 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . 0.616 HG12 ' HB2' ' B' ' 16' ' ' LEU . 97.0 mt -145.34 141.23 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.425 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -139.6 139.04 36.67 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 1.602 ' CG1' HG22 ' B' ' 110' ' ' VAL . 5.2 t -112.3 160.62 11.63 Favored 'Isoleucine or valine' 0 C--N 1.337 0.065 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.542 178.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.531 ' HG2' HG23 ' B' ' 110' ' ' VAL . 27.7 mmt180 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.659 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -172.48 152.41 16.65 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.567 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 80.2 p -143.06 125.05 15.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.855 0.359 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 47.1 t -87.37 133.71 33.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -107.1 128.23 54.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -86.29 121.65 29.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -67.79 149.66 49.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.008 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -116.74 -37.28 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.958 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -157.17 -60.8 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -85.95 126.25 33.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 47.6 t -97.52 148.06 23.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 53.0 m -88.13 175.83 7.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -142.3 65.18 0.49 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.453 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -7' ' ' LEU . . . . . 1.603 ' CD1' HD21 ' B' ' -7' ' ' LEU . 52.8 tp -83.55 151.8 25.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.793 0.33 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 35.7 m -60.21 148.48 78.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -67.92 -71.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.681 2.254 . . . . 0.0 112.416 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -4' ' ' ARG . . . . . 0.437 ' HE ' ' HA ' ' B' ' -4' ' ' ARG . 3.7 mmp_? -114.87 14.43 17.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.134 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -84.29 43.24 3.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.661 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 79.9 p -151.31 6.7 0.49 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.787 0.327 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -115.28 113.7 24.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -113.7 171.28 7.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.796 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . 0.562 ' HB3' ' HB3' ' B' ' 22' ' ' GLN . 2.1 mp0 -97.71 155.25 17.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.774 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.98 143.72 27.46 Favored Pre-proline 0 CA--C 1.517 -0.31 0 CA-C-O 120.926 0.393 . . . . 0.0 111.059 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.451 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 51.8 Cg_exo -57.1 -44.49 43.55 Favored 'Trans proline' 0 CA--C 1.509 -0.734 0 C-N-CA 122.726 2.284 . . . . 0.0 110.201 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 1.599 ' CG1' HG22 ' B' ' 4' ' ' VAL . 46.3 t -158.54 80.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 113.94 -1.482 . . . . 0.0 110.32 179.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 p -67.11 105.5 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.061 0.457 . . . . 0.0 110.652 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.0 m -59.3 162.44 4.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.465 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.496 HD22 ' N ' ' B' ' 8' ' ' ASP . 8.3 tt -142.92 137.66 29.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.556 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.496 ' N ' HD22 ' B' ' 7' ' ' LEU . 18.5 t70 -137.52 -12.53 1.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . 0.434 ' HB2' ' HB2' ' B' ' 12' ' ' ASP . 10.0 m-20 -136.87 154.12 50.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.54 -42.94 86.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.63 -16.49 61.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.708 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.434 ' HB2' ' HB2' ' B' ' 9' ' ' ASP . 21.0 t70 -67.23 -7.09 21.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.3 173.9 7.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.448 ' HA ' ' HD2' ' B' ' 15' ' ' PRO . 74.3 m -102.04 102.57 24.65 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' B' ' 14' ' ' SER . 2.8 Cg_endo -44.96 87.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.76 2.307 . . . . 0.0 113.043 -178.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 1.586 ' CD1' HD21 ' B' ' 16' ' ' LEU . 2.3 mm? 63.39 -91.15 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.881 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 16' ' ' LEU . 41.6 mttp -26.52 101.24 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.359 -1.291 . . . . 0.0 112.19 -179.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 1.595 HD22 ' CD1' ' B' ' 18' ' ' LEU . 7.6 tp -132.13 -163.76 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.497 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.431 ' H ' ' HG ' ' B' ' 18' ' ' LEU . 19.6 m -158.68 150.9 21.49 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.942 0.401 . . . . 0.0 110.685 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.48 ' HG2' HG21 ' B' ' 78' ' ' VAL . 57.2 mt-30 -78.49 137.18 37.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.846 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.495 ' HA3' ' NH2' ' B' ' 77' ' ' ARG . . . 112.51 29.49 3.15 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.831 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.562 ' HB3' ' HB3' ' B' ' 1' ' ' GLN . 1.2 pt20 -145.07 149.47 35.12 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.975 0.417 . . . . 0.0 110.609 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.501 ' HG2' ' HD3' ' B' ' 77' ' ' ARG . 30.2 mt-10 -121.76 175.17 6.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 1.608 HD12 ' CD2' ' B' ' 24' ' ' LEU . 9.1 tt -154.6 151.18 28.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.145 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 54.8 t -135.05 104.73 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.835 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 1.601 HD11 ' CD2' ' B' ' 26' ' ' LEU . 89.4 mt -70.62 136.98 49.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 56.0 m -127.12 93.28 3.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.07 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 1.569 HD13 ' CD2' ' B' ' 28' ' ' LEU . 7.5 mp -119.21 151.32 50.73 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.961 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -79.13 140.11 15.49 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.595 2.197 . . . . 0.0 112.35 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.3 p -161.79 170.08 20.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.075 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -144.05 96.64 5.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.797 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.4 -5.12 7.73 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.615 2.21 . . . . 0.0 112.396 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -91.19 1.9 56.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.398 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.555 ' HG1' ' H ' ' B' ' 35' ' ' GLY . 74.0 p -105.04 -65.04 1.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.36 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.555 ' H ' ' HG1' ' B' ' 34' ' ' THR . . . 152.59 -35.4 0.81 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.765 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -87.01 105.61 17.27 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.324 0.583 . . . . 0.0 110.946 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.428 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 14.8 mmm180 -106.01 -158.25 0.65 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.592 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.428 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 94.3 m95 -118.29 112.16 19.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -93.91 155.11 17.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.204 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.512 HD21 ' HG ' ' B' ' 88' ' ' LEU . 16.1 mt -104.1 116.35 32.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.242 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.501 ' HB2' ' HB3' ' B' ' 87' ' ' GLU . 4.2 mmp_? -93.16 -17.41 23.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.27 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.517 ' HB3' ' HB2' ' B' ' 87' ' ' GLU . 63.4 t30 -175.03 88.17 0.31 Allowed Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.722 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.437 ' HB3' HD11 ' B' ' 40' ' ' LEU . 76.2 Cg_endo -76.89 20.33 0.63 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.561 2.174 . . . . 0.0 112.545 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 58.13 27.69 15.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.86 -7.1 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.516 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -74.62 -28.76 61.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.036 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.413 HG22 ' N ' ' B' ' 48' ' ' LEU . 21.4 m -136.58 -45.74 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.466 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 1.599 HD23 ' CD1' ' B' ' 48' ' ' LEU . 18.3 mt -80.77 119.7 23.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.554 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.6 ' HZ2' ' HB3' ' B' ' 49' ' ' LYS . 5.5 ttpm? -84.72 138.07 32.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -91.75 143.26 26.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.775 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 1.596 HD12 ' CD2' ' B' ' 51' ' ' LEU . 64.1 mt -68.09 -174.59 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.819 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.23 -176.64 3.6 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.652 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -75.94 -166.01 0.34 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.602 2.201 . . . . 0.0 112.48 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 61.23 102.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.089 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 1.598 ' CG2' HG12 ' B' ' 55' ' ' VAL . 30.8 m -102.06 11.75 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -114.15 157.66 22.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 53.3 m -85.78 -178.84 6.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.758 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . 0.566 HD21 ' N ' ' B' ' 58' ' ' ASN . 0.8 OUTLIER -84.5 -49.79 8.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.855 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 46.9 t -153.1 163.06 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -138.94 133.43 31.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -99.66 -67.11 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -156.56 126.05 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 79.8 p -152.25 151.4 30.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.6 50.31 2.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 86.1 mt -88.35 172.51 9.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.886 0.374 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 1.587 HG22 ' CG1' ' B' ' 66' ' ' VAL . 61.0 t -65.83 -27.26 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.971 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -145.39 -178.67 21.11 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.544 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 90.7 p -94.04 -45.58 7.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -147.96 -5.9 0.28 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.525 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.11 81.57 0.63 Allowed Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -151.39 157.97 43.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.859 0.362 . . . . 0.0 110.843 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 52.3 m -94.36 141.85 28.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.984 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 63.4 m -140.46 113.72 8.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -113.84 116.08 28.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.445 ' HB3' HD21 ' B' ' 51' ' ' LEU . 0.1 OUTLIER -104.81 135.33 46.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.821 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -139.47 158.22 44.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.242 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.501 ' HD3' ' HG2' ' B' ' 23' ' ' GLU . 7.2 tpt180 -146.8 137.55 23.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.479 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 1.595 HG23 ' CG1' ' B' ' 78' ' ' VAL . 17.6 t -85.21 121.99 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.727 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.63 -44.79 4.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.767 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.75 179.92 5.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.022 0.439 . . . . 0.0 111.447 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.76 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 6.3 p -81.73 -167.86 1.68 Allowed 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.835 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.3 155.75 13.66 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.471 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -91.67 143.86 26.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.934 0.397 . . . . 0.0 111.106 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.434 ' OD2' ' HB ' ' B' ' 108' ' ' ILE . 2.5 p-10 -159.19 177.13 11.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.816 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -156.7 102.65 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.517 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.404 ' HB3' ' HB3' ' B' ' 106' ' ' CYS . 10.9 tp -53.23 146.05 12.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.531 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.517 ' HB2' ' HB3' ' B' ' 42' ' ' ASN . 4.4 mm-40 -143.87 116.98 8.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.924 0.393 . . . . 0.0 111.718 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.512 ' HG ' HD21 ' B' ' 40' ' ' LEU . 5.8 mp -131.15 146.53 52.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.14 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.476 HG23 ' HE ' ' B' ' 91' ' ' ARG . 14.9 m -138.8 163.75 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.742 0.306 . . . . 0.0 111.155 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' TYR . . . . . 0.465 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 44.9 t80 -110.93 96.82 6.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.211 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.513 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 27.3 ptt180 -166.98 167.16 14.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.709 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.517 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 89.7 mtt180 -60.04 119.72 44.23 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.512 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.34 -28.7 85.68 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.789 2.326 . . . . 0.0 113.55 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' TRP . . . . . 0.517 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 13.3 p90 -79.86 14.62 1.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.67 0.271 . . . . 0.0 111.581 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.486 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 41.9 mt-10 -112.76 123.27 49.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.778 0.323 . . . . 0.0 110.774 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' B' ' 96' ' ' LYS . 13.0 mptt -67.55 -51.35 51.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.794 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -141.66 105.25 4.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.473 ' H ' ' NH1' ' B' ' 91' ' ' ARG . . . -148.5 129.27 14.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.793 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.441 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 36.7 mt-10 -54.46 117.8 14.49 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.064 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . 0.513 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 9.4 Cg_endo -87.9 165.82 7.28 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 123.214 2.609 . . . . 0.0 112.263 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.87 -30.57 21.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.025 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.465 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 27.9 mt-10 -125.55 -172.3 2.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.091 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 79.8 p -173.14 162.17 4.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.726 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.477 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 59.1 t80 -156.31 150.21 25.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.399 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 86.7 p -159.93 123.23 3.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.323 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' B' ' 86' ' ' LEU . 53.2 t -113.64 131.29 56.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.521 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.522 ' HB2' HD13 ' B' ' 16' ' ' LEU . . . -80.56 118.05 21.81 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.93 179.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . 0.556 HG22 HD23 ' B' ' 48' ' ' LEU . 20.0 mt -140.41 115.69 7.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . 0.671 ' HB3' ' HB3' ' B' ' 16' ' ' LEU . 53.2 tt0 -135.41 112.99 10.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.25 178.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 1.598 ' CG1' HG22 ' B' ' 110' ' ' VAL . 3.4 t -95.17 162.78 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.236 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.523 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 24.3 tpt180 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.352 -0.832 . . . . 0.0 110.748 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.781 0.324 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -100.6 -33.55 5.03 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 47.5 t -141.78 156.83 45.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.765 0.316 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 47.8 t -128.2 -19.82 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -155.47 125.73 6.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -73.94 -167.59 0.51 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 74.2 t60 63.59 108.11 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 31.7 m80 60.53 -176.97 0.11 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.048 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -72.07 -179.09 2.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.977 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -64.99 159.3 23.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 53.9 m -119.35 128.69 54.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.807 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.8 t -95.44 121.36 37.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.056 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -105.54 95.23 1.06 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.443 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -7' ' ' LEU . . . . . 1.587 ' CD1' HD21 ' B' ' -7' ' ' LEU . 22.7 tp -114.34 14.03 17.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.644 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . 1.589 ' CG1' HG22 ' B' ' -6' ' ' VAL . 96.0 t -55.47 113.74 6.1 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.053 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.61 168.94 6.05 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.403 2.069 . . . . 0.0 112.33 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -98.89 -13.82 19.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -154.45 -147.65 4.74 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.577 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 41.3 t -87.0 170.81 11.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -93.84 -22.16 18.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 26.1 mmt -67.9 -71.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 61.57 -83.59 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.216 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.505 ' CB ' ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -114.51 133.58 22.47 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.165 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.5 ' HG2' ' HG3' ' B' ' 22' ' ' GLN . 5.8 Cg_exo -76.05 -40.24 0.72 Allowed 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 122.943 2.429 . . . . 0.0 112.404 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 17.9 m -148.64 5.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.708 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 1.599 HG21 ' CG1' ' B' ' 5' ' ' VAL . 54.5 t -51.37 -37.5 18.73 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 121.429 0.633 . . . . 0.0 111.048 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.86 145.35 32.26 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.679 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 1.596 ' CD1' HD23 ' B' ' 7' ' ' LEU . 44.2 tp -167.26 152.94 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.094 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.412 ' H ' HD23 ' B' ' 7' ' ' LEU . 4.3 p30 -162.26 14.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -139.47 159.53 41.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.831 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.55 -34.9 9.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.386 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.94 -27.21 68.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.134 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -83.19 10.79 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 77.6 m -96.23 134.91 38.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.02 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 4.1 p -164.51 161.02 15.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.699 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.8 75.48 0.31 Allowed 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.267 1.978 . . . . 0.0 111.602 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.443 HD11 ' H ' ' B' ' 17' ' ' LYS . 56.5 tp -90.32 149.65 22.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.638 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.443 ' H ' HD11 ' B' ' 16' ' ' LEU . 41.4 mttm -83.1 134.94 34.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.378 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 1.603 ' CD2' HD11 ' B' ' 18' ' ' LEU . 0.4 OUTLIER -122.64 -165.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.493 -179.355 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.3 m -160.21 147.99 16.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.509 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.561 HE21 ' HA ' ' B' ' 80' ' ' ALA . 96.5 mt-30 -60.47 111.25 1.51 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.839 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 141.94 -7.59 2.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.546 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.5 ' HG3' ' HG2' ' B' ' 3' ' ' PRO . 14.0 mm100 -105.51 -170.57 1.76 Allowed 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.827 0.346 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.47 ' HB2' HG13 ' B' ' 5' ' ' VAL . 43.3 mt-10 -150.47 -167.3 2.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.508 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 1.601 HD12 ' CD2' ' B' ' 24' ' ' LEU . 5.7 tt -163.53 128.74 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.927 179.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.472 ' N ' HD12 ' B' ' 24' ' ' LEU . 48.0 t -126.5 140.8 47.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.977 0.418 . . . . 0.0 111.4 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 1.581 HD13 ' CD2' ' B' ' 26' ' ' LEU . 47.9 mt -126.1 126.07 43.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.846 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 63.8 m -129.02 97.68 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.328 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 1.605 HD13 ' CD2' ' B' ' 28' ' ' LEU . 3.1 mm? -117.45 158.23 45.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.628 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.69 142.18 20.17 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.572 2.181 . . . . 0.0 112.233 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -152.83 -51.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.194 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 13.5 m120 61.07 98.4 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.39 -13.06 6.76 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.56 2.173 . . . . 0.0 112.596 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 79.2 p -69.48 -4.53 19.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.281 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 59.1 p -102.81 -69.17 0.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.298 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.88 -36.99 1.29 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.923 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -79.71 100.03 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.116 0.484 . . . . 0.0 110.971 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.434 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 17.0 mmm180 -92.34 -155.1 0.41 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.864 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.434 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 92.8 m95 -129.62 117.17 19.96 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.94 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -98.22 152.72 19.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.981 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.433 HD22 ' HG ' ' B' ' 88' ' ' LEU . 94.2 mt -95.63 107.12 19.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.274 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -79.29 -18.87 51.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.358 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.585 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 10.3 t30 -173.28 90.38 0.37 Allowed Pre-proline 0 CA--C 1.53 0.205 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.648 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.0 8.91 1.86 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.585 2.19 . . . . 0.0 112.522 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 52.94 30.87 9.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.64 -8.66 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.364 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 53.5 m -65.96 -30.14 70.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.439 HG22 ' HG ' ' B' ' 48' ' ' LEU . 34.7 m -131.66 -39.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.674 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 1.606 HD13 ' CD2' ' B' ' 48' ' ' LEU . 18.8 mt -90.01 123.22 33.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.836 0.35 . . . . 0.0 110.741 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.579 ' HZ2' ' HB3' ' B' ' 49' ' ' LYS . 5.0 ttpm? -75.63 151.93 37.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -101.33 145.92 28.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.034 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.496 HD12 ' HB2' ' B' ' 77' ' ' ARG . 8.0 mp -107.63 142.07 38.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.2 166.02 4.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.605 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.39 -57.89 1.41 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.781 2.321 . . . . 0.0 112.37 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -136.66 -64.56 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 1.606 ' CG2' HG12 ' B' ' 55' ' ' VAL . 16.3 m -132.3 164.49 34.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 58.13 -173.29 0.09 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.048 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -131.46 -69.22 0.63 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -141.6 -71.41 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.1 m -152.46 3.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 58.78 -175.01 0.09 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.276 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -126.12 -65.49 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.758 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -89.52 109.83 20.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.656 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.7 m -63.71 102.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.81 34.41 4.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.991 -0.624 . . . . 0.0 112.164 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 58.7 mt -61.46 121.46 12.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.376 . . . . 0.0 110.94 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.7 p -98.13 -22.43 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.6 2.83 87.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.547 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 40.5 m 59.41 16.94 5.52 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.814 0.34 . . . . 0.0 111.16 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.94 100.69 0.28 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.587 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.99 126.62 0.17 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.537 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -160.92 176.03 11.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' SER . . . . . 0.425 ' HA ' HH22 ' B' ' 37' ' ' ARG . 47.7 t -93.45 122.46 35.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 71.0 m -125.88 128.15 47.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -126.5 136.41 52.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.755 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -143.34 124.95 14.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.048 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -137.28 144.24 42.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.919 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.496 ' HB2' HD12 ' B' ' 51' ' ' LEU . 4.1 tmm_? -117.33 129.84 56.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.323 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 1.592 HG11 ' CG2' ' B' ' 78' ' ' VAL . 11.0 t -68.82 110.75 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.245 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -116.47 -10.55 11.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.393 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.561 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -144.55 157.78 44.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.059 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.525 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 58.4 m -99.3 168.29 10.12 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 121.12 0.486 . . . . 0.0 110.697 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 136.48 170.96 12.11 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.662 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -93.46 112.47 24.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.958 0.409 . . . . 0.0 110.82 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.416 ' OD2' ' HB ' ' B' ' 108' ' ' ILE . 9.8 p-10 -127.85 -173.29 2.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.001 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -166.89 104.45 0.57 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.091 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 1.578 HD13 ' CD2' ' B' ' 86' ' ' LEU . 13.1 mt -59.75 141.36 55.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 110.676 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.585 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 25.4 mt-10 -140.07 128.91 23.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.984 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.433 ' HG ' HD22 ' B' ' 40' ' ' LEU . 5.0 mp -136.82 167.29 21.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.33 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 1.576 ' CG1' HG22 ' B' ' 89' ' ' VAL . 7.4 p -150.78 158.38 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.133 0.492 . . . . 0.0 111.426 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' TYR . . . . . 0.512 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 26.9 t80 -103.14 101.02 10.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.925 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -165.53 174.92 9.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.512 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 99.1 mtt180 -78.76 133.3 62.53 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.714 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 16.7 Cg_exo -68.01 -47.22 1.88 Allowed 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.711 2.274 . . . . 0.0 113.11 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' TRP . . . . . 0.512 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 12.7 p90 -57.88 -25.78 61.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.553 -179.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -72.65 104.95 4.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.89 0.376 . . . . 0.0 110.744 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -71.32 100.69 2.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.736 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 57.1 88.66 0.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.822 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.44 156.66 48.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.55 110.99 3.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.006 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -84.62 -166.4 0.35 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.574 2.183 . . . . 0.0 112.425 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.56 -82.48 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 0.6 OUTLIER -69.46 -166.2 0.09 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.251 0.548 . . . . 0.0 111.252 179.821 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 79.4 p -175.5 155.0 1.73 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.703 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -151.17 102.88 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 79.3 p -119.44 146.35 45.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.105 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 96.4 m -146.89 136.65 23.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.57 146.57 25.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . 0.525 HD11 ' HG ' ' B' ' 86' ' ' LEU . 88.7 mt -148.48 137.58 15.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.544 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -142.18 157.07 45.28 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.235 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 1.608 HG21 ' CG1' ' B' ' 110' ' ' VAL . 0.3 OUTLIER -136.6 -153.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.309 179.756 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.119 -0.943 . . . . 0.0 111.091 -179.789 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 59.1 ttp . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.828 0.347 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -172.11 -38.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.488 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 54.5 m -129.06 151.59 49.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.761 0.315 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 48.2 t -138.12 115.45 11.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -90.74 -179.58 5.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . 0.404 ' HB2' ' HB2' ' B' ' -12' ' ' HIS . 69.7 m-70 -123.76 -170.08 2.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 65.6 m80 -94.29 93.08 7.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.147 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 64.9 m80 60.94 12.07 3.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.507 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . 0.404 ' HB2' ' HB2' ' B' ' -15' ' ' HIS . 94.1 m-70 -98.17 135.02 40.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 110.816 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -143.54 146.27 33.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.1 p -102.18 -51.13 3.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.5 t -133.12 140.96 47.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 142.47 48.93 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.438 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -7' ' ' LEU . . . . . 1.597 ' CD2' HD11 ' B' ' -7' ' ' LEU . 69.7 mt -86.46 -8.55 57.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.85 0.357 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 32.9 m -87.15 151.09 51.0 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -61.33 172.69 3.12 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.573 2.182 . . . . 0.0 112.212 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -65.5 -58.55 5.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -117.45 157.09 15.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.454 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 47.7 t -100.37 103.73 15.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -141.14 177.3 8.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.803 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 69.6 mtm -65.62 -27.04 68.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.803 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -74.98 145.81 42.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.483 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -128.65 151.56 77.2 Favored Pre-proline 0 CA--C 1.514 -0.44 0 CA-C-O 121.403 0.621 . . . . 0.0 111.887 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.12 -29.31 65.22 Favored 'Trans proline' 0 CA--C 1.507 -0.864 0 C-N-CA 123.109 2.539 . . . . 0.0 110.291 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 1.583 HG23 ' CG1' ' B' ' 4' ' ' VAL . 3.6 t -154.6 80.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 114.29 -1.323 . . . . 0.0 110.932 179.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' B' ' 24' ' ' LEU . 12.5 m -64.68 165.1 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.164 179.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -126.51 161.79 27.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.004 0.43 . . . . 0.0 111.607 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 1.587 ' CD1' HD23 ' B' ' 7' ' ' LEU . 57.8 tp -137.21 148.95 46.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.641 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -171.68 19.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -102.27 -50.07 3.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . 75.43 -46.98 0.59 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.481 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -77.5 -27.05 51.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 110.685 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -80.37 1.45 28.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.656 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 67.3 m -63.98 129.84 41.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.519 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.539 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 16.5 m -159.95 163.35 22.68 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.951 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . 0.539 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 20.3 Cg_endo -61.4 79.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.046 1.831 . . . . 0.0 111.699 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' B' ' 14' ' ' SER . 40.1 tp -80.51 142.93 33.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.652 -179.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -92.65 115.76 28.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.54 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 10.9 mp -108.98 -168.72 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.048 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.7 m -158.81 145.38 17.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.295 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.451 ' NE2' ' HA ' ' B' ' 80' ' ' ALA . 75.8 mt-30 -52.52 104.2 0.08 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.702 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.502 ' HA3' ' NH2' ' B' ' 77' ' ' ARG . . . 146.29 13.06 0.19 Allowed Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.879 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -129.79 144.19 51.18 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.639 ' HB2' HG13 ' B' ' 4' ' ' VAL . 45.2 mt-10 -122.43 -176.59 3.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.943 0.401 . . . . 0.0 111.556 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 1.604 HD11 ' CD2' ' B' ' 24' ' ' LEU . 1.4 mt -152.96 146.2 24.76 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.004 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 1.603 ' CG2' HG11 ' B' ' 25' ' ' VAL . 97.2 t -145.04 92.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.325 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.9 tp -98.09 127.96 44.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.246 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -120.1 140.83 50.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 95.9 mt -142.16 129.33 11.3 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.782 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.72 144.61 94.22 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.493 2.128 . . . . 0.0 112.282 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 76.6 p -139.17 175.23 9.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.767 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -132.02 86.0 48.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.814 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -62.27 -7.16 9.62 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.542 2.161 . . . . 0.0 112.42 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 76.3 p -87.12 8.26 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.387 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.59 ' HG1' ' H ' ' B' ' 35' ' ' GLY . 69.8 p -115.83 -66.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.388 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.59 ' H ' ' HG1' ' B' ' 34' ' ' THR . . . 145.88 -20.27 1.79 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.893 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -88.18 97.3 10.92 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.099 0.476 . . . . 0.0 111.027 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.554 ' HB2' ' HD3' ' B' ' 93' ' ' PRO . 0.6 OUTLIER -88.38 -152.93 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.479 179.477 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -121.0 120.82 36.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -109.15 126.5 53.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.534 ' HG ' ' HG ' ' B' ' 88' ' ' LEU . 1.2 tt -95.48 109.34 21.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.549 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -75.53 -68.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.555 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 51.7 t-20 -102.34 99.3 12.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -79.0 -3.92 13.54 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.505 2.137 . . . . 0.0 112.665 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.423 ' HB1' HD21 ' B' ' 48' ' ' LEU . . . 55.68 27.6 10.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.8 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.71 -5.91 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.348 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -68.28 -35.97 78.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.404 HG13 ' HA2' ' B' ' 82' ' ' GLY . 28.3 m -132.83 3.94 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.625 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 1.599 HD21 ' CD1' ' B' ' 48' ' ' LEU . 92.4 mt -126.64 124.97 41.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.97 0.414 . . . . 0.0 111.353 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.485 ' O ' HD11 ' B' ' 51' ' ' LEU . 16.7 mmtt -111.68 -163.4 0.85 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.569 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.511 ' HB2' ' HB3' ' B' ' 77' ' ' ARG . 29.0 tpt180 69.22 14.47 8.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.047 0.451 . . . . 0.0 111.532 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.485 HD11 ' O ' ' B' ' 49' ' ' LYS . 8.4 mp -73.97 103.81 4.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.671 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.48 179.37 53.15 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.685 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -79.32 -169.12 0.73 Allowed 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.838 2.359 . . . . 0.0 112.449 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -77.5 135.46 38.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.813 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 p -84.36 7.8 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.054 0.454 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -131.11 20.26 4.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.69 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 52.1 m -56.65 162.51 2.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.994 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.9 -54.21 47.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 54.1 m -81.73 121.11 25.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.945 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -154.56 137.97 15.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -81.93 -70.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -113.15 116.76 30.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.0 m -110.02 107.35 17.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.17 17.02 48.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.335 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 67.0 mt -67.9 135.23 52.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.722 0.296 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 1.605 ' CG2' HG11 ' B' ' 66' ' ' VAL . 83.6 t -142.26 -78.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.212 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.47 -104.0 0.22 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.497 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 38.6 m -142.67 0.64 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.887 0.375 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 138.98 54.49 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.507 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.66 127.81 4.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.406 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -144.0 145.03 31.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 111.118 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 42.7 t -111.74 170.22 8.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 58.7 m -154.95 138.18 15.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.947 0.403 . . . . 0.0 111.412 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 7.1 m-90 -138.37 112.38 8.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.406 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.458 ' HA ' ' O ' ' B' ' 24' ' ' LEU . 29.7 ptt180 -119.33 139.25 52.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.665 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.498 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -148.26 178.46 8.55 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.691 179.634 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.571 ' HB2' ' HG2' ' B' ' 23' ' ' GLU . 9.3 tpt180 -152.33 141.27 21.14 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.321 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 1.604 HG11 ' CG2' ' B' ' 78' ' ' VAL . 93.9 t -71.55 95.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.876 0.37 . . . . 0.0 110.737 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.455 ' HB3' ' HB2' ' B' ' 49' ' ' LYS . . . -69.07 -50.06 51.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.239 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.451 ' HA ' ' NE2' ' B' ' 20' ' ' GLN . . . -144.52 -176.94 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.964 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.706 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 58.6 m -73.76 -165.06 0.25 Allowed 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.773 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . 0.404 ' HA2' HG13 ' B' ' 47' ' ' VAL . . . 102.22 163.6 26.55 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.483 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -100.43 162.15 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.634 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -168.85 -179.84 3.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.524 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -160.18 104.89 1.5 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.469 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 10.2 tp -67.87 125.08 25.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.637 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.555 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 17.2 mt-10 -122.21 116.5 24.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.117 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.534 ' HG ' ' HG ' ' B' ' 40' ' ' LEU . 5.3 mp -121.29 156.21 33.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.66 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 32.8 m -142.7 161.76 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -111.24 102.43 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.77 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.491 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 23.7 ptt180 -159.38 177.08 11.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.791 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.479 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 54.0 mtt180 -63.05 145.08 97.04 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.41 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' PRO . . . . . 0.554 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 78.7 Cg_endo -82.46 -2.75 11.19 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.782 2.321 . . . . 0.0 113.621 -178.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' TRP . . . . . 0.479 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 18.8 p90 -115.98 18.59 15.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.754 0.312 . . . . 0.0 111.43 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -114.72 122.67 47.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . 0.528 ' HB3' ' HZ2' ' B' ' 96' ' ' LYS . 5.9 ttpm? -91.11 106.99 18.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.675 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 21.1 t70 57.48 81.12 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.041 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.1 177.45 7.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.46 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 40.9 mt-10 -77.06 113.05 27.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.059 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . 0.491 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 11.3 Cg_endo -91.13 158.99 3.85 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 123.413 2.742 . . . . 0.0 112.455 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.36 -71.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.797 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -87.9 -163.37 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.053 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.5 p -174.59 158.79 2.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.415 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 56.9 t80 -154.15 148.81 26.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.826 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 78.1 p -159.95 140.42 11.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.765 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -149.88 135.78 18.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 111.404 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.16 138.56 31.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.063 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 98.3 mt -140.99 145.46 25.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.938 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -149.11 161.36 42.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.584 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 1.61 HG11 ' CG2' ' B' ' 110' ' ' VAL . 15.8 t -136.44 155.52 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.93 0.395 . . . . 0.0 111.092 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.403 ' N ' HG23 ' B' ' 110' ' ' VAL . 28.8 mmt180 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.144 -0.931 . . . . 0.0 110.995 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.73 0.3 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 106.23 -65.09 0.27 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.527 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 53.1 m -99.66 136.36 39.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.764 0.316 . . . . 0.0 110.95 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 53.2 m -97.19 162.66 13.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -132.83 -3.68 3.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.008 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -125.56 -18.03 5.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -83.75 113.53 20.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -73.45 153.37 40.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -63.68 -44.07 94.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -144.57 109.92 5.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 79.7 p -164.44 -22.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 49.6 m -89.85 171.54 9.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 137.76 51.6 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.444 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 85.1 mt 58.49 -173.61 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.894 0.378 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . 0.459 ' HA ' ' HD3' ' B' ' -5' ' ' PRO . 7.6 p -143.79 129.6 9.97 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' -5' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' B' ' -6' ' ' VAL . 5.7 Cg_exo -73.93 159.05 45.52 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.691 2.261 . . . . 0.0 112.126 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -99.19 -78.81 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.7 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 52.94 -150.11 10.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.732 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 78.9 p -162.94 108.75 1.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.768 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -126.43 -179.27 4.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 26.0 mmt -82.64 -14.07 55.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -103.76 151.47 23.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.617 ' HD2' ' HA ' ' B' ' 22' ' ' GLN . 0.0 OUTLIER -144.83 157.86 53.97 Favored Pre-proline 0 CA--C 1.512 -0.493 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.94 179.888 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.416 ' HD2' ' HD3' ' B' ' 2' ' ' LYS . 54.3 Cg_exo -56.13 -8.05 2.2 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 122.355 2.036 . . . . 0.0 109.531 176.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 1.608 ' CG2' HG12 ' B' ' 4' ' ' VAL . 36.6 t 35.05 87.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 113.791 -1.549 . . . . 0.0 111.513 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 m -57.04 159.38 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.166 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.42 -175.95 3.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.513 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 1.579 HD12 ' CD2' ' B' ' 7' ' ' LEU . 67.1 tp -168.98 149.53 4.34 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.618 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -162.85 -27.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.177 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -79.61 109.81 14.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.959 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.578 ' C ' ' H ' ' B' ' 12' ' ' ASP . . . -72.48 157.11 38.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 t70 63.39 -13.8 0.08 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.132 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.578 ' H ' ' C ' ' B' ' 10' ' ' ALA . 23.5 t70 -83.36 7.6 16.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.148 0.499 . . . . 0.0 109.869 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 12.9 m -88.19 170.9 10.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.789 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.501 ' O ' ' N ' ' B' ' 16' ' ' LEU . 27.9 m -164.43 165.15 13.15 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.259 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . 0.451 ' HB3' ' NE2' ' B' ' 109' ' ' GLN . 53.1 Cg_exo -52.89 81.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.056 1.837 . . . . 0.0 111.792 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 1.582 HD12 ' CD2' ' B' ' 16' ' ' LEU . 5.9 mt -51.74 163.01 0.35 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.507 0.67 . . . . 0.0 112.622 -179.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -133.98 77.6 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.214 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 10.9 mp -92.84 -169.13 2.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.181 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.1 m -157.59 156.04 31.21 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.088 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.614 HE21 ' HA ' ' B' ' 80' ' ' ALA . 93.5 mt-30 -49.63 100.71 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.01 24.23 0.99 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.287 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.617 ' HA ' ' HD2' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -115.19 105.05 12.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.708 0.29 . . . . 0.0 111.021 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -80.09 159.77 26.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.058 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 1.599 HD22 ' CD1' ' B' ' 24' ' ' LEU . 3.6 tt -159.44 132.33 6.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 1.596 ' CG1' HG22 ' B' ' 25' ' ' VAL . 88.7 t -128.31 116.4 41.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.749 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 1.606 HD21 ' CD1' ' B' ' 26' ' ' LEU . 44.4 mt -93.11 155.67 17.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.0 0.429 . . . . 0.0 111.357 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 67.7 m -157.07 103.3 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 1.602 HD21 ' CD1' ' B' ' 28' ' ' LEU . 3.6 mm? -104.03 148.38 35.79 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.744 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -79.78 119.69 4.08 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.497 2.132 . . . . 0.0 112.335 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 87.9 p -124.49 -174.78 3.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -135.59 92.82 16.76 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . 0.409 ' HB3' HH12 ' B' ' 37' ' ' ARG . 32.8 Cg_exo -60.03 -13.96 25.86 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.51 2.14 . . . . 0.0 112.44 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 53.6 m -76.45 -30.33 57.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.2 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 40.7 p -87.48 -74.16 0.45 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.559 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.51 -17.94 1.14 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.712 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -82.74 98.99 9.38 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.47 0.652 . . . . 0.0 110.921 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.409 HH12 ' HB3' ' B' ' 32' ' ' PRO . 0.8 OUTLIER -95.58 -158.63 0.66 Allowed 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.26 179.155 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -120.78 117.4 27.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.41 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -100.64 146.44 27.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.599 ' HG ' ' HG ' ' B' ' 88' ' ' LEU . 0.8 OUTLIER -108.13 103.53 12.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.599 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.474 ' NE ' ' HA ' ' B' ' 41' ' ' ARG . 4.0 mmp_? -71.57 -66.86 0.57 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.156 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -109.11 94.18 14.54 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.661 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.457 ' HB3' HD12 ' B' ' 40' ' ' LEU . 88.1 Cg_endo -81.63 9.71 3.79 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.593 2.195 . . . . 0.0 112.921 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.493 ' HB1' HD21 ' B' ' 48' ' ' LEU . . . 55.37 32.92 19.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.588 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.12 -15.02 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.784 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 48.1 t -68.88 -14.96 63.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.039 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.407 HG22 ' HG ' ' B' ' 48' ' ' LEU . 32.8 m -142.99 -10.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.101 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 1.599 HD13 ' CD2' ' B' ' 48' ' ' LEU . 80.0 mt -115.59 120.85 40.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.064 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.412 ' C ' HD13 ' B' ' 51' ' ' LEU . 0.0 OUTLIER -113.78 -166.86 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.577 179.839 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.585 ' HB3' ' H ' ' B' ' 77' ' ' ARG . 54.9 ttt180 69.71 24.91 5.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.903 0.383 . . . . 0.0 111.335 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.429 HD23 ' HB2' ' B' ' 43' ' ' PRO . 7.3 mp -85.29 118.38 24.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.451 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -137.83 169.2 24.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.795 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . 0.482 ' HB2' ' H ' ' B' ' 54' ' ' GLU . 66.1 Cg_endo -87.08 -146.17 0.03 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 123.103 2.535 . . . . 0.0 112.351 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . 0.482 ' H ' ' HB2' ' B' ' 53' ' ' PRO . 42.8 mt-10 66.03 111.83 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.024 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 1.579 HG11 ' CG2' ' B' ' 55' ' ' VAL . 16.4 m -114.87 155.9 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.072 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 64.32 151.0 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.267 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 57.0 m -155.67 112.28 3.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -95.84 160.29 14.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.2 m -149.14 -61.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -129.8 16.61 5.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -89.11 -178.65 5.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -111.82 -17.27 12.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 55.1 m -130.03 -177.72 4.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.07 69.08 2.17 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.566 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.522 HD21 ' HA3' ' B' ' 69' ' ' GLY . 75.0 mt -109.54 130.96 55.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.1 p -97.81 -20.01 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -153.11 -77.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 41.5 m -133.99 6.85 3.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . 0.522 ' HA3' HD21 ' B' ' 65' ' ' LEU . . . 153.91 -153.68 24.99 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.484 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.29 105.65 0.93 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.374 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -140.16 148.15 41.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.893 0.378 . . . . 0.0 111.095 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 80.5 p -76.2 -175.72 3.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.77 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' THR . . . . . 0.42 ' HB ' HG21 ' B' ' 55' ' ' VAL . 56.5 m -153.42 123.74 7.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.16 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.528 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 76.7 m95 -134.0 132.65 40.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.635 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -136.21 134.54 38.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.173 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.486 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 1.4 p90 -168.04 149.83 5.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.585 ' H ' ' HB3' ' B' ' 50' ' ' ARG . 1.5 tmm_? -129.36 143.27 50.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.725 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 1.606 HG21 ' CG1' ' B' ' 78' ' ' VAL . 42.9 t -62.78 116.91 3.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.543 -179.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.12 -36.16 12.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.409 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.614 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -152.39 172.56 16.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.093 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.718 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 25.8 p -75.66 -170.67 1.34 Allowed 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.136 0.493 . . . . 0.0 111.023 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.02 152.75 8.47 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.555 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -100.88 111.86 24.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.854 0.359 . . . . 0.0 111.026 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -137.6 -170.97 2.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.654 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -150.91 149.76 30.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.782 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 9.2 tp -96.82 144.81 26.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.355 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -141.8 109.81 5.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.859 0.362 . . . . 0.0 111.762 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.599 ' HG ' ' HG ' ' B' ' 40' ' ' LEU . 6.8 mp -121.08 157.03 30.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.336 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.562 HG23 ' HE ' ' B' ' 91' ' ' ARG . 15.4 m -143.23 171.77 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.732 0.301 . . . . 0.0 111.225 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' TYR . . . . . 0.451 ' CB ' ' HB2' ' B' ' 102' ' ' GLU . 44.1 t80 -116.37 97.4 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.393 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.562 ' HE ' HG23 ' B' ' 89' ' ' VAL . 18.9 ptt180 -167.53 167.85 13.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.543 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 40.7 mtt180 -60.74 122.96 72.26 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.651 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -62.0 -27.89 79.97 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.711 2.274 . . . . 0.0 113.325 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' TRP . . . . . 0.467 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 18.1 p90 -81.15 19.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.674 0.273 . . . . 0.0 111.691 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.543 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 46.7 mt-10 -112.23 125.08 53.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.831 0.348 . . . . 0.0 110.845 179.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -62.53 -51.43 67.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.954 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . 0.408 ' HA ' HH12 ' B' ' 91' ' ' ARG . 16.7 t70 -151.83 110.66 3.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.47 ' H ' ' NH1' ' B' ' 91' ' ' ARG . . . -138.23 -176.82 4.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.769 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -103.9 99.03 14.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.96 132.58 23.31 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.515 2.143 . . . . 0.0 112.247 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.41 -48.65 80.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.35 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.451 ' HB2' ' CB ' ' B' ' 90' ' ' TYR . 25.0 mt-10 -103.87 -170.7 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.1 p -167.88 161.03 12.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.63 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.543 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 66.6 t80 -155.41 155.13 33.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.472 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 28.7 t -167.61 140.72 3.36 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.499 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 20.0 t -144.54 113.53 6.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.676 0.274 . . . . 0.0 111.412 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.7 134.2 55.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.601 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 27.1 mt -138.17 116.35 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.703 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . 0.451 ' NE2' ' HB3' ' B' ' 15' ' ' PRO . 77.5 mt-30 -123.68 137.71 54.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.744 178.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 1.609 ' CG2' HG12 ' B' ' 110' ' ' VAL . 18.7 t -128.37 156.22 40.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.195 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.548 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 34.0 mmt180 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.025 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.73 0.3 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 85.17 177.03 50.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.49 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 80.2 p -83.39 144.33 29.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.833 0.349 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 53.4 m -144.63 8.25 1.31 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -65.63 -21.66 66.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -85.09 138.36 32.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -73.07 120.93 19.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -149.67 -33.97 0.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -136.41 -30.68 0.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -61.57 117.25 5.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 50.4 m -86.13 116.41 24.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.3 t -99.04 -28.8 13.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -155.68 -17.98 0.04 OUTLIER Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.589 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -7' ' ' LEU . . . . . 1.609 HD22 ' CD1' ' B' ' -7' ' ' LEU . 60.3 tp -92.8 112.6 24.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.766 0.317 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . 1.591 ' CG1' HG22 ' B' ' -6' ' ' VAL . 18.4 m -134.31 151.31 76.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.054 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.81 172.45 1.14 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.578 2.185 . . . . 0.0 112.324 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -69.27 176.12 3.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.956 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -127.63 142.28 13.37 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 61.7 m -96.65 -165.01 1.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.77 0.319 . . . . 0.0 110.812 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -56.16 141.15 41.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 49.4 ttm -140.64 142.58 34.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.088 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . 0.572 ' HB3' ' HB3' ' B' ' 22' ' ' GLN . 12.8 mm100 -82.31 -165.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.437 ' HE3' ' H ' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -102.55 153.58 38.05 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-O 120.9 0.381 . . . . 0.0 111.815 -179.754 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.471 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 72.2 Cg_endo -70.7 -11.14 29.16 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.671 2.247 . . . . 0.0 111.362 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.614 ' HB ' ' HB2' ' B' ' 23' ' ' GLU . 1.7 p 163.67 99.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.797 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 p -83.72 103.49 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.048 0.451 . . . . 0.0 110.228 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.12 164.33 24.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.777 -178.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 1.595 ' CD1' HD23 ' B' ' 7' ' ' LEU . 62.9 tp -142.38 146.6 35.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.595 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -136.83 -42.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -88.05 159.12 18.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.77 -3.88 9.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -79.57 -18.39 51.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -93.83 -4.42 50.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 73.0 m -59.85 135.19 57.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.136 0.493 . . . . 0.0 111.175 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.435 ' HB2' ' HD2' ' B' ' 15' ' ' PRO . 6.7 p -173.43 163.06 3.33 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.07 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' B' ' 14' ' ' SER . 18.9 Cg_endo -61.28 77.51 0.08 OUTLIER 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.21 1.94 . . . . 0.0 111.463 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' B' ' 14' ' ' SER . 63.7 tp -83.49 137.63 33.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.381 -179.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.533 ' HB3' ' HZ2' ' B' ' 17' ' ' LYS . 6.1 mtpm? -82.23 104.27 12.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.897 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 1.593 ' CD2' HD11 ' B' ' 18' ' ' LEU . 10.6 mp -94.58 -169.24 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.903 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.2 m -154.76 149.93 27.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.036 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -70.58 104.29 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.905 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 152.25 23.34 0.05 OUTLIER Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.314 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.572 ' HB3' ' HB3' ' B' ' 1' ' ' GLN . 9.4 pt20 -143.18 165.62 26.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.717 0.259 . . . . 0.0 110.611 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.614 ' HB2' ' HB ' ' B' ' 4' ' ' VAL . 35.2 mt-10 -117.42 -173.31 2.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.379 0.609 . . . . 0.0 111.835 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.446 ' CA ' HG22 ' B' ' 4' ' ' VAL . 9.4 tp -163.01 114.34 1.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.049 179.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.417 HG11 ' HG2' ' B' ' 75' ' ' ARG . 58.8 t -127.07 92.15 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.982 0.42 . . . . 0.0 110.885 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 1.596 HD12 ' CD2' ' B' ' 26' ' ' LEU . 93.6 mt -63.71 157.33 24.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.207 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 66.6 m -155.59 111.8 3.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -134.75 155.03 79.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.38 142.16 11.72 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.597 2.198 . . . . 0.0 112.435 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 73.4 p -146.31 -179.77 6.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.688 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -126.61 83.98 63.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.63 -16.79 56.79 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.628 2.218 . . . . 0.0 112.217 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 67.6 p -89.16 -17.94 28.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 90.1 m -83.37 -68.26 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.06 -36.6 0.56 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.538 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -78.03 102.55 7.48 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.06 0.457 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.491 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 14.9 mmm180 -103.2 -159.54 0.73 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.129 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . 0.491 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 97.0 m95 -118.54 126.35 51.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.831 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -111.04 134.13 52.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 1.601 HD23 ' CD1' ' B' ' 40' ' ' LEU . 51.4 tp -79.56 130.25 35.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.736 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.619 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 0.0 OUTLIER -110.01 -50.85 2.93 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.274 -179.526 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.596 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 63.0 t30 -143.87 93.2 6.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.024 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.507 ' HB3' HD12 ' B' ' 40' ' ' LEU . 75.4 Cg_endo -76.83 13.07 1.53 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.554 2.17 . . . . 0.0 112.589 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.442 ' HB1' HD21 ' B' ' 48' ' ' LEU . . . 54.24 30.67 12.74 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.04 -9.52 2.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.461 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 57.6 m -62.44 -32.28 73.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 35.9 m -130.98 -36.45 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.635 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 1.605 HD13 ' CD2' ' B' ' 48' ' ' LEU . 14.2 mt -88.57 124.41 34.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.789 0.328 . . . . 0.0 110.856 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -85.84 144.17 27.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -90.89 143.25 26.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 1.596 HD22 ' CD1' ' B' ' 51' ' ' LEU . 71.8 mt -73.9 -63.91 1.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.791 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -153.38 -166.16 14.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.412 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.07 -177.25 0.76 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.642 2.228 . . . . 0.0 112.289 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -72.3 173.68 8.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 p -96.61 8.28 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -116.57 104.92 11.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.787 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 56.2 m -143.59 -176.58 5.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -79.81 -10.31 59.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.011 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 80.3 p -133.33 134.84 44.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -123.55 105.11 9.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -63.14 -68.28 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.712 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -101.13 117.33 34.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.655 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 54.2 m -64.26 -81.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.067 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.36 -63.99 3.85 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.301 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 94.3 mt 56.26 106.38 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.052 0.453 . . . . 0.0 111.477 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 1.597 HG22 ' CG1' ' B' ' 66' ' ' VAL . 7.3 p -91.65 -26.81 4.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.068 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -140.38 -119.22 1.59 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 91.3 p -86.86 -32.6 20.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.685 0.279 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 141.23 149.91 5.31 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.96 -99.85 0.8 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.586 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 60.62 179.36 0.1 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.85 0.357 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 78.8 p -108.11 134.5 50.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.963 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 63.0 m -145.46 103.83 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.869 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -105.85 114.2 28.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.788 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.562 ' HB3' HD21 ' B' ' 51' ' ' LEU . 72.6 mtm180 -97.81 141.14 31.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.083 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -146.29 166.94 24.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.495 ' HD3' ' N ' ' B' ' 78' ' ' VAL . 4.1 tmt_? -151.78 136.39 17.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.392 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 1.604 ' CG2' HG12 ' B' ' 78' ' ' VAL . 26.6 t -86.42 121.46 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.085 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.433 ' HB3' HH11 ' B' ' 77' ' ' ARG . . . -132.7 -19.18 2.37 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.529 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -129.64 152.06 49.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.931 0.396 . . . . 0.0 111.262 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.601 ' HB2' ' HB2' ' B' ' 111' ' ' ARG . 11.8 p -88.45 -179.55 6.1 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 115.76 179.48 18.27 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.513 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -100.74 154.36 18.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.938 0.399 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -168.59 -176.08 2.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.649 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -163.2 111.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 1.595 HD12 ' CD2' ' B' ' 86' ' ' LEU . 17.5 mt -64.56 143.41 57.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.754 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.596 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 18.8 mt-10 -139.42 109.25 6.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.272 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 mp -118.72 118.5 31.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.3 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 1.606 ' CG2' HG12 ' B' ' 89' ' ' VAL . 7.8 p -99.83 160.8 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.112 0.482 . . . . 0.0 111.315 -179.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -115.09 97.96 6.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.941 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.541 HH21 ' HG3' ' B' ' 100' ' ' PRO . 16.4 ptp180 -151.04 179.54 8.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.823 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.449 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 99.1 mtt180 -83.72 137.9 41.02 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.577 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 19.4 Cg_exo -66.62 -43.18 7.95 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.79 2.327 . . . . 0.0 113.329 -179.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' TRP . . . . . 0.449 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 4.2 p90 -68.59 -17.13 64.07 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.431 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 35.9 mt-10 -78.46 -21.61 48.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.491 0.186 . . . . 0.0 111.236 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt 62.82 -79.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.283 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -124.09 101.56 7.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.825 0.345 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.77 -178.95 6.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.986 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -78.3 113.32 32.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.059 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . 0.541 ' HG3' HH21 ' B' ' 91' ' ' ARG . 84.9 Cg_endo -79.97 165.8 21.58 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.59 2.193 . . . . 0.0 112.605 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.19 -53.53 4.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.007 0.432 . . . . 0.0 110.946 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.46 ' HB3' ' H ' ' B' ' 103' ' ' SER . 5.3 mm-40 -104.0 -163.01 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.616 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' SER . . . . . 0.46 ' H ' ' HB3' ' B' ' 102' ' ' GLU . 80.1 p -175.04 155.64 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.831 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -152.1 140.36 20.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 80.2 p -159.21 121.35 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.561 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.66 140.0 53.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.029 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.56 141.0 32.95 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . 0.52 HD13 ' HG ' ' B' ' 86' ' ' LEU . 90.6 mt -147.97 131.75 8.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . 0.465 ' O ' ' HA ' ' B' ' 17' ' ' LYS . 8.4 tt0 -149.64 108.46 3.86 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.799 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 1.607 ' CG1' HG22 ' B' ' 110' ' ' VAL . 55.2 t -59.96 -91.4 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.112 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.601 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 39.7 mmt180 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.911 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.768 0.318 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -169.4 142.01 7.05 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.549 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 80.1 p -88.2 -44.21 11.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.655 0.264 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 45.7 t 61.7 -83.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.215 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -73.58 141.31 46.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -108.63 111.08 22.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -101.03 0.76 38.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -87.16 113.36 22.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.775 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -91.95 135.55 33.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.022 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -146.55 130.95 17.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.752 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 47.7 t -84.23 121.26 27.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 46.9 t -142.41 118.71 10.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -114.97 -147.72 9.34 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.562 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -7' ' ' LEU . . . . . 1.605 ' CD2' HD11 ' B' ' -7' ' ' LEU . 6.8 mp -81.58 154.27 26.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.783 0.325 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . 0.466 ' HA ' ' HD3' ' B' ' -5' ' ' PRO . 35.7 m -131.45 138.27 32.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.161 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' -5' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' B' ' -6' ' ' VAL . 7.3 Cg_exo -73.01 -169.09 0.46 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.659 2.239 . . . . 0.0 112.042 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -85.3 -42.4 14.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 57.32 -162.1 8.26 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.592 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 53.2 m -148.93 109.27 4.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.714 0.293 . . . . 0.0 110.788 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -113.38 111.06 21.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.974 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 65.5 mtt -132.13 -64.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.753 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . 0.476 ' HG3' ' H ' ' B' ' 2' ' ' LYS . 27.2 tp60 -120.37 -140.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.336 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.564 ' N ' ' HD2' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -113.59 138.09 22.45 Favored Pre-proline 0 CA--C 1.516 -0.344 0 CA-C-O 120.964 0.411 . . . . 0.0 111.787 -179.538 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 64.8 Cg_exo -55.17 -19.61 21.55 Favored 'Trans proline' 0 CA--C 1.509 -0.746 0 C-N-CA 122.622 2.215 . . . . 0.0 110.005 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 1.608 HG11 ' CG2' ' B' ' 4' ' ' VAL . 4.4 t -156.64 72.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 113.895 -1.502 . . . . 0.0 109.966 178.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 1.601 HG21 ' CG1' ' B' ' 5' ' ' VAL . 58.9 t -49.64 153.31 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.135 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.5 m -124.28 163.83 20.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.898 0.38 . . . . 0.0 111.236 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.81 128.63 35.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.522 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -139.4 -8.64 1.29 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -129.39 114.17 15.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.559 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.12 -0.57 7.98 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.829 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -106.81 -6.43 17.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.797 0.332 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -80.01 12.18 2.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.604 ' HB3' ' HA ' ' B' ' 106' ' ' CYS . 38.3 m -59.6 143.81 49.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.421 ' HA ' ' HD3' ' B' ' 15' ' ' PRO . 32.2 t -177.77 138.14 0.39 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.698 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 14' ' ' SER . 24.3 Cg_exo -63.66 80.78 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.282 1.988 . . . . 0.0 111.583 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 44.3 tp -89.97 161.13 16.03 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.638 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -112.58 131.52 55.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.702 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.579 ' H ' ' HA ' ' B' ' 110' ' ' VAL . 11.0 mp -114.68 -167.61 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.764 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.9 m -154.56 144.73 21.94 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.682 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -56.65 100.41 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.809 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 150.76 -8.68 0.72 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.544 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.446 ' HB3' ' O ' ' B' ' 2' ' ' LYS . 18.7 mt-30 -104.02 -179.38 3.93 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.558 ' HB2' HG11 ' B' ' 4' ' ' VAL . 32.5 mt-10 -146.98 -171.67 3.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.483 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 1.605 HD13 ' CD2' ' B' ' 24' ' ' LEU . 3.2 tt -167.41 134.22 2.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.488 178.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.591 HG23 ' HG2' ' B' ' 75' ' ' ARG . 90.9 t -129.41 115.21 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.609 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 1.603 HD21 ' CD1' ' B' ' 26' ' ' LEU . 96.0 mt -78.96 138.28 37.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.974 0.416 . . . . 0.0 111.284 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 54.8 m -132.61 120.03 21.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.508 HD12 ' HB3' ' B' ' 72' ' ' SER . 6.4 mp -111.34 154.02 43.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.285 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -80.4 12.89 2.39 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 123.03 2.487 . . . . 0.0 111.392 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 84.4 p -57.97 173.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.215 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . 0.488 HD21 HG22 ' B' ' 34' ' ' THR . 6.7 t30 -147.83 141.83 16.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.605 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -52.17 -59.16 1.19 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.506 2.137 . . . . 0.0 112.913 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 43.2 m -82.65 84.83 7.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.485 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.488 HG22 HD21 ' B' ' 31' ' ' ASN . 27.0 p -150.31 -68.72 0.19 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.965 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.98 -36.74 1.65 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.836 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . 0.576 ' HA ' ' HG2' ' B' ' 92' ' ' ARG . 17.8 m-85 -88.31 101.17 13.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.089 0.471 . . . . 0.0 110.92 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -77.67 -147.12 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.507 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -136.65 120.11 17.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.763 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -111.93 118.56 35.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.758 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.476 HD22 ' N ' ' B' ' 41' ' ' ARG . 2.0 tt -91.13 128.8 37.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.905 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.476 ' N ' HD22 ' B' ' 40' ' ' LEU . 22.4 mmm180 -96.75 -67.03 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.938 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.613 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 62.7 t30 -118.14 95.57 48.53 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.059 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -77.56 5.66 5.02 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.531 2.154 . . . . 0.0 112.906 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.423 ' HB1' HD21 ' B' ' 48' ' ' LEU . . . 54.67 27.99 9.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.821 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.3 -17.22 18.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.463 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.3 t -62.54 -21.58 65.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.076 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 30.6 m -131.8 -13.07 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.502 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 1.566 HD21 ' CD1' ' B' ' 48' ' ' LEU . 80.1 mt -109.27 159.92 16.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.842 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.608 ' HE2' ' HA ' ' B' ' 49' ' ' LYS . 0.1 OUTLIER -137.24 -142.45 0.17 Allowed 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.486 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.527 ' HB3' ' HA ' ' B' ' 76' ' ' PHE . 46.7 ttt180 47.14 29.83 1.24 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.315 0.578 . . . . 0.0 110.805 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 1.608 ' CD1' HD21 ' B' ' 51' ' ' LEU . 4.0 mt -84.55 -171.59 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.716 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 177.55 175.27 44.64 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.678 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -81.68 -44.48 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.951 2.434 . . . . 0.0 112.448 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -124.96 -175.02 3.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 1.601 ' CG1' HG22 ' B' ' 55' ' ' VAL . 29.3 m -122.18 11.66 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.195 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -141.33 8.56 2.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.779 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -75.26 -9.12 58.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -69.15 167.39 16.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.984 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 52.5 m -88.33 -57.36 2.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -120.46 124.01 44.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.824 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -143.73 122.21 12.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -62.29 149.34 42.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.627 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 51.6 m -63.85 -86.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.91 25.42 30.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.542 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 77.7 mt -96.46 172.32 8.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.795 0.331 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.32 -26.88 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -115.61 -156.52 11.04 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.624 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 92.2 p -75.34 -28.97 59.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.756 0.313 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 150.0 120.56 1.01 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 158.17 -139.27 6.22 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.509 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 59.67 -179.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.891 0.377 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' SER . . . . . 0.508 ' HB3' HD12 ' B' ' 28' ' ' LEU . 46.9 t -96.46 154.04 17.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.828 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 39.7 m -155.3 83.98 1.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.238 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -86.05 110.68 19.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.267 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.591 ' HG2' HG23 ' B' ' 25' ' ' VAL . 91.3 mtt180 -108.03 137.77 45.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 111.702 -179.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.527 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -151.53 161.56 42.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.51 179.278 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.519 ' HD2' ' N ' ' B' ' 78' ' ' VAL . 3.2 tmm_? -134.4 135.63 42.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.53 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 1.587 ' CG2' HG12 ' B' ' 78' ' ' VAL . 56.1 t -59.33 108.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.969 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.527 ' HB3' ' HB2' ' B' ' 49' ' ' LYS . . . -92.31 -47.89 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.404 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.47 171.82 14.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.689 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 52.4 p -69.01 -165.03 0.06 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.718 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.71 159.11 12.38 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.682 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -110.79 112.15 23.81 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.897 0.379 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.05 -168.11 1.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.955 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -161.98 115.61 1.84 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.762 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 1.602 ' CD1' HD22 ' B' ' 86' ' ' LEU . 5.7 mt -63.08 135.51 57.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.685 0.279 . . . . 0.0 110.718 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.613 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 23.6 mt-10 -136.45 111.65 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.002 -179.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.575 ' HB2' ' HB2' ' B' ' 104' ' ' PHE . 4.9 mp -134.34 168.49 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.45 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 13.2 m -148.88 134.17 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.982 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -87.4 85.16 7.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.407 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.699 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 16.4 ptm180 -139.62 -173.2 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.32 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.576 ' HG2' ' HA ' ' B' ' 36' ' ' PHE . 78.7 mtt180 -91.56 151.08 42.17 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.563 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -74.21 -22.79 16.31 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.908 2.405 . . . . 0.0 113.502 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' TRP . . . . . 0.513 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 27.5 p90 -98.53 30.26 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.603 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -127.95 115.47 18.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -69.35 -62.07 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.123 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -137.0 96.42 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.26 130.54 15.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.438 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 37.8 mt-10 -53.28 121.81 27.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . 0.699 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 55.7 Cg_endo -94.16 -178.01 0.61 Allowed 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.325 2.683 . . . . 0.0 112.877 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.82 -69.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.687 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -99.69 -169.87 1.81 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.149 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 39.4 m -167.97 157.44 9.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.083 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.575 ' HB2' ' HB2' ' B' ' 88' ' ' LEU . 17.1 m-85 -139.0 139.99 38.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.067 0.46 . . . . 0.0 111.517 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' B' ' 86' ' ' LEU . 78.7 p -174.39 82.82 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.485 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' CYS . . . . . 0.604 ' HA ' ' HB3' ' B' ' 13' ' ' CYS . 96.6 m -114.84 145.73 41.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.089 0.471 . . . . 0.0 111.466 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.01 143.98 39.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.215 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 68.7 mt -147.44 118.83 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.649 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . 0.413 ' NE2' ' HB3' ' B' ' 15' ' ' PRO . 76.8 mt-30 -129.62 163.92 25.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.901 0.381 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 1.606 ' CG2' HG12 ' B' ' 110' ' ' VAL . 25.6 t -133.59 157.43 42.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.742 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.413 ' N ' HG23 ' B' ' 110' ' ' VAL . 21.0 tpt180 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.054 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 86.6 mtp . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -89.61 110.65 3.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.422 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 47.8 t -95.26 125.53 39.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.318 . . . . 0.0 110.964 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 80.0 p -134.13 -3.09 2.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -69.43 152.63 44.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.804 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -56.56 124.4 18.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.808 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -64.95 127.87 33.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.977 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -153.59 -174.96 5.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -83.68 145.01 29.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -72.15 -53.77 11.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 47.5 t -143.03 -55.86 0.41 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 51.6 m -132.36 153.78 50.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -161.77 -55.3 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.649 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -7' ' ' LEU . . . . . 1.605 ' CD2' HD13 ' B' ' -7' ' ' LEU . 59.0 tp -92.75 -45.99 7.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.795 0.331 . . . . 0.0 110.983 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . 0.438 HG11 ' H ' ' B' ' -4' ' ' ARG . 39.0 t -126.78 129.85 23.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.039 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.31 -33.3 97.58 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.458 2.105 . . . . 0.0 112.291 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -4' ' ' ARG . . . . . 0.438 ' H ' HG11 ' B' ' -6' ' ' VAL . 3.6 tmt_? 63.01 -82.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.817 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 175.32 162.13 26.07 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 79.5 p -142.99 -42.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.749 0.309 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -111.46 115.38 29.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.455 ' HE1' HG21 ' B' ' 19' ' ' THR . 58.9 ttp -82.83 -41.94 18.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.839 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -115.99 -86.35 0.61 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.044 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 24.8 mmmt -141.44 138.71 17.79 Favored Pre-proline 0 CA--C 1.518 -0.274 0 CA-C-O 120.967 0.413 . . . . 0.0 111.746 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.454 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 59.0 Cg_exo -56.49 -20.24 32.58 Favored 'Trans proline' 0 CA--C 1.51 -0.679 0 C-N-CA 122.812 2.341 . . . . 0.0 109.944 178.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 1.593 HG11 ' CG2' ' B' ' 4' ' ' VAL . 42.3 t -155.06 72.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.059 -1.428 . . . . 0.0 110.122 178.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 1.609 HG13 ' CG2' ' B' ' 5' ' ' VAL . 66.9 t -55.61 105.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.663 0.268 . . . . 0.0 110.598 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 m -68.64 161.91 27.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.336 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 1.604 ' CD2' HD11 ' B' ' 7' ' ' LEU . 56.5 tp -145.76 159.02 43.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.699 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -163.15 -61.3 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -71.09 142.16 50.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.83 -17.67 24.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -73.66 -30.78 63.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.0 -1.24 47.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 84.3 m -81.8 120.45 25.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.015 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.505 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 19.5 m -155.54 161.08 30.21 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.426 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 28.5 Cg_endo -63.18 78.06 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.278 1.986 . . . . 0.0 111.645 179.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.424 HD11 ' H ' ' B' ' 17' ' ' LYS . 47.1 tp -97.46 142.06 29.77 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.43 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.424 ' H ' HD11 ' B' ' 16' ' ' LEU . 14.1 mptt -74.24 141.0 45.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.13 0.49 . . . . 0.0 110.925 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.435 ' HG ' ' NE2' ' B' ' 22' ' ' GLN . 3.9 mp -126.97 -163.72 1.28 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.789 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.455 HG21 ' HE1' ' B' ' 0' ' ' MET . 4.2 t -161.09 141.87 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -58.25 119.06 6.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.507 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.484 ' HA3' ' NH2' ' B' ' 77' ' ' ARG . . . 134.28 6.4 2.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.01 -179.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.435 ' NE2' ' HG ' ' B' ' 18' ' ' LEU . 9.7 mt-30 -124.37 160.33 28.37 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.553 ' HB2' HG13 ' B' ' 4' ' ' VAL . 44.4 mt-10 -135.92 -164.54 1.56 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.228 0.537 . . . . 0.0 112.134 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' B' ' 75' ' ' ARG . 5.2 tp -157.81 147.36 19.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.911 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 1.587 ' CG2' HG11 ' B' ' 25' ' ' VAL . 15.9 t -148.56 107.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.567 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -109.28 143.06 39.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.829 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 59.3 m -138.31 117.37 12.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.1 mt -120.67 157.6 53.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.27 130.18 11.81 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.476 2.118 . . . . 0.0 112.225 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 82.4 p -165.87 124.75 1.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -77.21 119.61 78.19 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.723 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.28 164.34 36.07 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.563 2.175 . . . . 0.0 112.461 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' THR . . . . . 0.54 ' H ' HH12 ' B' ' 37' ' ' ARG . 69.2 p 49.81 26.01 1.76 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.502 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 90.3 m -97.77 -64.06 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.04 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.46 -47.11 0.32 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.618 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -92.66 104.54 16.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.954 0.406 . . . . 0.0 111.241 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.54 HH12 ' H ' ' B' ' 33' ' ' THR . 0.3 OUTLIER -103.61 -155.22 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.323 179.514 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -128.89 115.68 18.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.67 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -97.0 147.91 23.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.517 HD22 ' HG ' ' B' ' 88' ' ' LEU . 85.1 mt -100.72 100.99 11.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.18 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -75.56 -13.44 60.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.974 0.416 . . . . 0.0 110.099 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.437 ' HB2' ' HB2' ' B' ' 87' ' ' GLU . 6.1 t30 -167.7 89.89 0.7 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.626 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.44 6.43 3.15 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.372 2.048 . . . . 0.0 112.523 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.3 26.27 10.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.65 -6.91 3.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.262 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 57.5 m -69.3 -34.6 74.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.054 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.433 HG22 ' HG ' ' B' ' 48' ' ' LEU . 31.4 m -127.63 -39.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.488 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 1.604 HD22 ' CD1' ' B' ' 48' ' ' LEU . 13.9 mt -88.63 125.71 34.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.746 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.631 ' HZ2' ' HB3' ' B' ' 49' ' ' LYS . 5.6 ttpm? -84.57 139.81 31.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -89.17 153.35 21.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.693 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 7.8 mp -100.7 -73.19 0.65 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.98 179.72 30.06 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.726 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . 0.534 ' HG2' ' H ' ' B' ' 54' ' ' GLU . 73.5 Cg_endo -76.8 -72.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.633 2.222 . . . . 0.0 112.718 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . 0.534 ' H ' ' HG2' ' B' ' 53' ' ' PRO . 23.4 mm-40 -132.33 -20.49 2.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.742 0.306 . . . . 0.0 111.032 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 60.6 t 62.7 106.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -154.76 -38.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m -153.45 6.46 0.35 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -67.98 -67.21 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.5 t -153.9 129.16 9.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -152.82 145.37 24.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -125.25 -58.83 1.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -132.2 117.73 18.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 52.7 m -145.31 -39.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.26 59.49 1.22 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 90.9 mt -73.33 147.31 44.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.806 0.336 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 23.3 t -84.4 -23.24 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.047 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.95 -86.78 0.15 Allowed Glycine 0 CA--C 1.517 0.177 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 91.4 p -141.33 -2.79 1.23 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 148.37 132.1 2.13 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.534 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 161.56 42.06 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.53 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -139.51 117.26 11.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 53.0 m -65.8 119.94 12.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 66.2 m -110.14 128.2 55.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -115.12 103.39 10.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.979 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' B' ' 24' ' ' LEU . 53.1 ttp180 -110.4 128.25 55.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -138.28 152.69 48.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.9 0.381 . . . . 0.0 111.406 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.484 ' NH2' ' HA3' ' B' ' 21' ' ' GLY . 7.4 tpt180 -130.44 144.24 51.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.326 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 1.608 ' CG1' HG22 ' B' ' 78' ' ' VAL . 40.1 t -87.89 115.24 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.891 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.63 -41.24 8.22 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.603 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -140.39 179.91 6.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.955 0.407 . . . . 0.0 111.336 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.718 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 74.7 m -86.44 -168.11 2.12 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.822 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 112.91 169.44 17.53 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.588 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . 0.446 ' HB3' HE22 ' B' ' 109' ' ' GLN . 3.5 p30 -94.37 149.92 20.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.764 0.316 . . . . 0.0 110.73 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -167.38 170.79 11.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.708 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -155.69 108.49 2.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.411 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.44 ' HG ' HD13 ' B' ' 88' ' ' LEU . 11.4 tp -65.19 123.99 20.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.948 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.437 ' HB2' ' HB2' ' B' ' 42' ' ' ASN . 36.0 mt-10 -117.18 125.63 51.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.517 ' HG ' HD22 ' B' ' 40' ' ' LEU . 5.3 mp -133.35 149.47 51.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.685 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 27.8 m -140.8 158.95 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.967 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' TYR . . . . . 0.526 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 36.8 t80 -110.03 102.91 11.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.03 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.505 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 22.6 ptt180 -166.67 178.51 5.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.815 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -61.67 134.87 93.98 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.572 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -83.45 29.36 0.55 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.859 2.373 . . . . 0.0 114.849 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 -130.53 -12.98 3.86 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.22 0.533 . . . . 0.0 109.704 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -71.5 144.71 49.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.983 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' B' ' 96' ' ' LYS . 0.0 OUTLIER -91.51 -35.42 14.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.668 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -170.1 102.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.857 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.91 146.34 25.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.08 111.94 3.99 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.008 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . 0.505 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 1.9 Cg_endo -82.49 163.77 16.74 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.104 2.536 . . . . 0.0 112.195 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.82 -69.37 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.662 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.526 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 3.0 mm-40 -90.46 -164.37 1.16 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.946 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.1 p -175.96 166.63 3.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.059 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.47 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 44.2 t80 -162.72 149.66 13.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.766 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 79.3 p -167.8 141.58 3.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 93.2 m -149.45 134.19 17.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.5 147.34 27.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.231 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 80.0 mt -145.67 136.4 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . 0.446 HE22 ' HB3' ' B' ' 83' ' ' ASP . 0.0 OUTLIER -131.03 146.81 52.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.651 179.831 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 1.594 HG23 ' CG1' ' B' ' 110' ' ' VAL . 4.4 t -139.79 149.99 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.892 0.377 . . . . 0.0 111.117 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.845 179.824 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.773 0.321 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -170.06 -33.01 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.671 -0.775 . . . . 0.0 112.472 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 47.2 t -95.76 -14.35 23.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.778 0.323 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 80.7 p -79.65 -10.45 59.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -83.95 -34.33 24.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -94.54 112.27 24.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -99.31 169.0 9.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -90.98 120.02 31.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -98.19 121.89 40.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -133.15 148.19 52.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 52.4 m -131.26 163.72 27.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.9 t -137.98 -32.19 0.75 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -91.62 95.11 2.01 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.426 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' -7' ' ' LEU . . . . . 1.578 ' CD1' HD23 ' B' ' -7' ' ' LEU . 82.5 mt -130.11 -55.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . 1.602 ' CG2' HG12 ' B' ' -6' ' ' VAL . 21.0 m -91.05 147.52 35.91 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.14 165.98 20.27 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.584 2.189 . . . . 0.0 112.241 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -93.89 110.64 22.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 179.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 162.69 -111.42 0.47 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.411 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 80.8 p -108.94 174.81 5.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.888 0.375 . . . . 0.0 110.927 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -153.16 -173.96 4.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.756 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.516 ' HG3' ' HG2' ' B' ' 1' ' ' GLN . 23.8 ptm -128.99 -34.91 1.88 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.136 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . 0.516 ' HG2' ' HG3' ' B' ' 0' ' ' MET . 17.9 mm-40 -99.85 140.27 34.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.856 ' HB3' HE22 ' B' ' 22' ' ' GLN . 14.9 mmmt -101.34 147.02 33.2 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.639 ' HD2' ' NE2' ' B' ' 22' ' ' GLN . 61.6 Cg_endo -68.86 -5.14 14.85 Favored 'Trans proline' 0 CA--C 1.516 -0.414 0 C-N-CA 123.758 2.972 . . . . 0.0 112.616 -179.535 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 1.606 ' CG2' HG12 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -114.28 -82.55 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.572 -178.854 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.702 HG11 ' HB2' ' B' ' 2' ' ' LYS . 5.2 m 44.81 -166.82 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.955 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' B' ' 25' ' ' VAL . 1.7 m -74.34 159.24 32.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.493 -179.769 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 1.594 ' CD2' HD13 ' B' ' 7' ' ' LEU . 2.5 pt? -160.17 -166.01 1.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.542 179.614 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -158.38 -38.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.247 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -73.11 123.73 24.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.907 -179.733 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.573 ' C ' ' H ' ' B' ' 12' ' ' ASP . . . -83.52 171.82 13.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.19 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' B' ' 10' ' ' ALA . 4.1 t70 64.07 -16.48 0.07 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.174 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.573 ' H ' ' C ' ' B' ' 10' ' ' ALA . 23.2 t70 -81.2 4.34 20.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.077 0.465 . . . . 0.0 110.215 179.645 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 74.5 m -79.71 -80.35 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.246 -179.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.587 ' O ' ' N ' ' B' ' 16' ' ' LEU . 12.5 p 65.7 162.33 0.13 Allowed Pre-proline 0 CA--C 1.522 -0.102 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.39 75.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.462 2.108 . . . . 0.0 112.466 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 1.59 ' CD2' HD13 ' B' ' 16' ' ' LEU . 6.7 mt -54.72 170.56 0.16 Allowed 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.395 0.617 . . . . 0.0 111.891 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' B' ' 17' ' ' LYS . 11.5 mptt -115.64 87.7 2.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.41 179.803 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 1.58 ' CD1' HD21 ' B' ' 18' ' ' LEU . 9.8 mp -98.53 -174.6 2.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.382 -179.696 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 13.1 m -163.05 157.31 20.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.953 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.526 HE21 ' HA ' ' B' ' 80' ' ' ALA . 94.6 mt-30 -51.15 99.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.766 179.758 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.43 20.55 1.75 Allowed Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.939 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.856 HE22 ' HB3' ' B' ' 2' ' ' LYS . 6.4 mm100 -104.77 167.23 9.86 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.671 0.272 . . . . 0.0 110.273 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -141.77 117.5 10.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 -179.172 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.573 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 52.3 tp -96.89 114.21 25.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.871 178.59 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.508 HG11 ' HG2' ' B' ' 75' ' ' ARG . 20.7 t -118.24 158.31 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.023 -179.412 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 67.5 tp -166.62 147.18 6.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.838 0.352 . . . . 0.0 111.028 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 73.7 m -138.84 132.09 29.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 89.2 mt -136.65 127.97 16.73 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.475 ' HA ' ' HG2' ' B' ' 71' ' ' GLU . 24.5 Cg_exo -63.56 146.31 92.61 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.507 2.138 . . . . 0.0 112.272 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 80.6 p -149.01 122.08 8.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.74 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -60.96 112.88 6.41 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.08 137.9 82.21 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.461 2.107 . . . . 0.0 112.268 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' THR . . . . . 0.555 ' H ' HH12 ' B' ' 37' ' ' ARG . 33.3 m 54.46 80.0 0.13 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.152 -179.831 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 67.3 m -141.3 -59.51 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.06 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.54 -51.04 0.5 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.024 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -94.24 110.39 22.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.301 0.572 . . . . 0.0 111.049 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.555 HH12 ' H ' ' B' ' 33' ' ' THR . 14.3 mmt180 -104.54 -154.11 0.5 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.155 179.35 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -117.92 111.7 19.35 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.822 179.298 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -102.32 133.78 46.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.159 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 tt -81.76 120.68 25.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.111 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.517 ' NE ' ' HA ' ' B' ' 41' ' ' ARG . 5.7 tpm_? -88.2 -66.85 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.043 -179.538 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.581 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 56.1 t30 -123.34 101.44 37.74 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.62 179.704 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.65 6.29 3.76 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.535 2.157 . . . . 0.0 112.993 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.37 26.61 3.19 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.754 0.312 . . . . 0.0 110.827 -179.637 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.31 -13.54 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.466 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 45.9 t -60.8 -27.55 68.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.413 HG22 ' HG ' ' B' ' 48' ' ' LEU . 20.4 m -130.65 -43.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.726 -179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 1.601 HD13 ' CD2' ' B' ' 48' ' ' LEU . 21.1 mt -80.15 161.43 25.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.78 0.324 . . . . 0.0 110.742 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.522 ' HB2' ' HB3' ' B' ' 79' ' ' ALA . 77.8 tttt -118.38 142.77 47.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.804 -179.731 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -98.26 139.34 34.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.138 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.477 HD12 ' HB3' ' B' ' 77' ' ' ARG . 8.6 mp -110.16 -5.73 15.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.799 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.45 172.73 28.33 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.642 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -84.6 -172.41 1.23 Allowed 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.889 2.393 . . . . 0.0 112.677 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -164.84 -41.3 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.724 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 40.0 t -99.43 130.39 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.013 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 84.8 t80 58.74 95.51 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.2 p -167.59 4.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 63.4 t30 60.54 13.31 4.1 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 51.9 m -104.15 -21.9 13.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -80.3 143.16 33.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.92 -66.42 0.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.677 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -150.99 128.06 11.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 56.3 m -147.86 -171.29 3.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.28 50.61 4.44 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.475 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 84.6 mt -83.54 168.81 16.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.718 0.294 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 39.3 t -92.18 110.66 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.8 -79.47 1.78 Allowed Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.418 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 90.4 p -155.34 -3.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.915 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.83 151.58 5.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.436 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 158.35 -174.75 35.55 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.471 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.475 ' HG2' ' HA ' ' B' ' 29' ' ' PRO . 45.3 mt-10 59.34 -177.22 0.09 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.837 0.351 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 78.6 p -141.36 157.66 44.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 52.9 m -142.85 143.05 31.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.184 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.42 ' O ' ' HA ' ' B' ' 25' ' ' VAL . 22.5 m-90 -126.83 131.6 51.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.82 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.508 ' HG2' HG11 ' B' ' 25' ' ' VAL . 71.6 mtm180 -144.66 117.12 8.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.748 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -131.21 135.53 47.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.835 0.35 . . . . 0.0 111.334 -179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.477 ' HB3' HD12 ' B' ' 51' ' ' LEU . 6.7 tpp180 -101.15 128.45 47.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.188 179.554 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 1.598 ' CG2' HG12 ' B' ' 78' ' ' VAL . 16.3 t -67.17 134.52 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.382 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.522 ' HB3' ' HB2' ' B' ' 49' ' ' LYS . . . -108.69 -37.04 6.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.302 -179.632 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.526 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -151.55 179.71 8.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.912 0.386 . . . . 0.0 111.335 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.726 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 5.3 p -84.22 -171.24 3.5 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.989 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 121.55 160.11 10.91 Favored Glycine 0 C--N 1.323 -0.186 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.327 -179.689 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.83 130.05 44.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.94 0.4 . . . . 0.0 111.252 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -154.33 -171.53 3.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.459 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -162.84 109.93 1.23 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.045 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 13.0 tp -63.32 124.11 20.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.462 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.581 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 16.5 mt-10 -117.96 129.19 55.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.087 0.47 . . . . 0.0 111.386 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.3 mp -137.41 145.65 43.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.146 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 5.7 m -139.88 149.15 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.023 0.439 . . . . 0.0 111.475 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 90' ' ' TYR . . . . . 0.512 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 60.5 t80 -94.49 94.01 7.97 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.8 -179.619 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.629 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 17.6 ptp180 -146.53 -173.75 4.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.502 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 99.1 mtt180 -84.42 122.48 75.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.372 179.713 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.54 -46.81 27.4 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.805 2.337 . . . . 0.0 113.316 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 94' ' ' TRP . . . . . 0.502 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 7.2 p90 -59.33 -18.82 41.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.642 -179.313 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.401 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 37.1 mt-10 -82.74 138.1 34.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.743 0.306 . . . . 0.0 110.884 179.647 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -77.62 -59.57 2.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -145.75 101.88 3.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.16 -179.31 5.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 179.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -89.0 110.12 35.66 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.992 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . 0.629 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 73.4 Cg_endo -75.76 162.22 35.48 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.595 2.197 . . . . 0.0 112.471 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.02 -48.2 10.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.192 0.52 . . . . 0.0 110.302 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 5.1 mm-40 -109.42 -162.1 0.79 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.884 179.421 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 103' ' ' SER . . . . . 0.454 ' H ' ' HB3' ' B' ' 102' ' ' GLU . 80.4 p -176.61 159.46 1.87 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.208 179.831 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -154.18 143.02 21.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.654 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 56.1 m -157.89 140.32 14.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.162 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 67.6 m -149.78 127.14 11.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.048 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.66 142.83 33.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.558 179.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . 0.444 HD12 HD22 ' B' ' 48' ' ' LEU . 40.8 mt -135.54 112.52 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.967 0.413 . . . . 0.0 111.765 -179.596 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -110.19 107.55 17.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.642 179.223 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 1.605 HG13 ' CG2' ' B' ' 110' ' ' VAL . 10.8 t -98.88 154.81 3.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.985 0.421 . . . . 0.0 111.405 -179.691 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.601 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 27.9 tpt180 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.791 179.611 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.836 0.351 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -106.14 -174.76 23.53 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.549 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 80.1 p -86.56 178.44 7.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 52.4 m -138.09 165.6 26.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -149.12 -18.7 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.709 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -58.49 155.19 12.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -117.04 118.03 31.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -137.89 -178.39 5.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.79 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -131.38 122.63 26.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -90.57 122.08 33.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 47.8 t -167.01 -23.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 36.2 t -147.46 16.42 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -67.69 85.6 0.15 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.607 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' -7' ' ' LEU . . . . . 1.609 ' CD2' HD11 ' B' ' -7' ' ' LEU . 58.5 tp -169.14 -29.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.908 0.385 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . 0.526 ' HB ' ' HD3' ' B' ' -5' ' ' PRO . 36.0 t -65.39 -47.98 68.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.586 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' -5' ' ' PRO . . . . . 0.526 ' HD3' ' HB ' ' B' ' -6' ' ' VAL . 42.9 Cg_exo -56.3 -24.49 51.57 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.175 1.917 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -93.83 121.26 35.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -149.85 161.26 28.81 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.388 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 52.4 m -150.72 179.91 7.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.742 0.305 . . . . 0.0 110.986 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 58.72 -174.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 66.6 mtm -68.64 162.72 25.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . 0.528 ' HG3' ' HG2' ' B' ' 2' ' ' LYS . 21.1 tp60 -116.62 -73.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.824 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.619 ' HG3' ' HB ' ' B' ' 5' ' ' VAL . 26.0 mmmt -136.44 136.79 22.71 Favored Pre-proline 0 CA--C 1.516 -0.351 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.509 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 42.5 Cg_exo -59.06 -36.46 96.34 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.125 1.884 . . . . 0.0 109.806 178.418 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 1.575 ' CG2' HG12 ' B' ' 4' ' ' VAL . 41.9 t -166.74 77.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 113.833 -1.531 . . . . 0.0 109.999 179.641 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.619 ' HB ' ' HG3' ' B' ' 2' ' ' LYS . 1.7 p -63.5 103.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.91 0.386 . . . . 0.0 110.525 179.753 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -75.78 162.64 28.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.435 -179.209 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 84.6 mt -140.19 160.11 40.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.051 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -148.88 6.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.636 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -164.92 146.69 7.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.826 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.402 ' HA ' ' SG ' ' B' ' 13' ' ' CYS . . . -71.59 -19.11 62.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.4 -179.695 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -63.78 -42.72 97.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.044 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -105.56 28.36 7.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.021 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.402 ' SG ' ' HA ' ' B' ' 10' ' ' ALA . 0.6 OUTLIER -46.58 -84.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.226 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 66.8 m -159.08 146.08 12.89 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.525 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -79.36 33.27 0.49 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.614 2.21 . . . . 0.0 113.238 -179.363 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.471 ' HA ' ' C ' ' B' ' 107' ' ' ALA . 36.5 tp 60.45 -110.41 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.65 179.655 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.601 ' HA ' ' O ' ' B' ' 109' ' ' GLN . 80.3 mttt -30.97 103.03 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.634 179.252 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mp -126.92 -160.53 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.874 -179.648 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.452 ' HA ' HG21 ' B' ' 110' ' ' VAL . 23.4 m -157.35 147.47 20.77 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.113 0.482 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -59.16 158.16 9.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.429 ' HA3' ' NH2' ' B' ' 77' ' ' ARG . . . 106.97 6.46 34.45 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.961 179.751 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -127.95 152.47 47.85 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.894 0.378 . . . . 0.0 110.539 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.556 ' HG2' ' HD3' ' B' ' 77' ' ' ARG . 32.7 mt-10 -118.78 -171.23 2.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.442 -179.789 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 tp -161.14 143.22 12.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.318 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 1.608 HG23 ' CG1' ' B' ' 25' ' ' VAL . 64.9 t -146.99 91.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.103 178.837 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 1.599 HD13 ' CD2' ' B' ' 26' ' ' LEU . 92.9 mt -63.85 158.21 22.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.313 -179.431 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 63.2 m -145.64 103.19 3.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.967 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 79.3 mt -130.02 142.64 46.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -80.93 121.0 3.92 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.566 2.177 . . . . 0.0 112.431 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 80.4 p -165.42 125.44 1.82 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . 0.439 ' HB2' HG21 ' B' ' 34' ' ' THR . 78.8 m-20 -93.72 137.09 23.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.777 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -78.72 16.0 1.36 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.694 2.263 . . . . 0.0 112.71 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 78.2 p -123.22 11.74 9.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.208 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.439 HG21 ' HB2' ' B' ' 31' ' ' ASN . 71.9 p -99.36 -59.86 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.242 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.89 -45.23 0.89 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.007 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -87.54 102.84 14.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.038 0.447 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.582 ' HB2' ' HG3' ' B' ' 93' ' ' PRO . 14.6 mmm180 -102.91 -156.59 0.57 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.793 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -122.79 115.47 22.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.662 179.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -90.95 149.81 21.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.47 -179.411 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 1.597 HD12 ' CD2' ' B' ' 40' ' ' LEU . 68.6 tp -104.62 116.22 31.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.561 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -94.99 -60.55 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.385 -179.698 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.602 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 63.7 t30 -133.18 90.84 29.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.075 -179.716 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.479 ' HB3' HD12 ' B' ' 40' ' ' LEU . 58.1 Cg_endo -71.17 -0.48 8.1 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.618 2.212 . . . . 0.0 112.667 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.97 23.95 7.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.931 0.396 . . . . 0.0 110.449 -179.327 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.62 -15.81 5.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.415 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 55.0 m -59.41 -27.44 66.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.992 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.42 ' HA ' ' HB1' ' B' ' 80' ' ' ALA . 27.6 m -130.39 -11.25 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.468 -179.82 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 1.59 HD21 ' CD1' ' B' ' 48' ' ' LEU . 15.6 mt -113.35 112.34 23.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.868 0.366 . . . . 0.0 110.766 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -74.64 138.86 43.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.085 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.434 HH21 ' HA ' ' B' ' 53' ' ' PRO . 16.5 ptm180 -89.32 134.89 33.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.598 179.915 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 1.61 ' CD1' HD23 ' B' ' 51' ' ' LEU . 68.3 mt -62.17 -32.08 72.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 160.16 169.67 23.76 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.707 179.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . 0.434 ' HA ' HH21 ' B' ' 50' ' ' ARG . 77.5 Cg_endo -86.58 -177.15 2.24 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 123.005 2.47 . . . . 0.0 112.643 -179.9 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 59.3 102.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 1.596 HG11 ' CG2' ' B' ' 55' ' ' VAL . 35.5 m -105.61 11.02 8.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.868 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -110.0 150.51 28.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 54.8 m -149.04 179.25 8.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -78.48 176.45 9.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.5 t -90.7 123.62 34.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -124.72 178.66 5.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.69 -35.45 39.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -151.1 112.17 4.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 53.1 m -149.68 -8.12 0.32 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.98 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.57 32.11 4.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.456 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.0 mt -73.84 121.07 20.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.765 0.317 . . . . 0.0 110.828 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 1.607 HG12 ' CG2' ' B' ' 66' ' ' VAL . 8.5 p -92.92 -24.66 5.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -111.1 -124.73 4.62 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.538 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 72.9 p -156.41 -0.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.351 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.49 -111.61 0.88 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.406 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.52 84.92 0.43 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.542 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -81.37 147.07 30.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 47.6 t -76.4 134.6 39.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.981 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 60.7 m -143.14 115.95 8.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.953 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -112.29 112.84 24.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.061 -179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.515 ' HG2' HG13 ' B' ' 25' ' ' VAL . 72.4 mtm180 -105.2 133.55 49.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -144.93 155.02 43.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.909 0.385 . . . . 0.0 111.297 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.556 ' HD3' ' HG2' ' B' ' 23' ' ' GLU . 9.8 tpt180 -137.04 140.89 42.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.505 179.615 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 1.59 ' CG1' HG22 ' B' ' 78' ' ' VAL . 9.1 t -96.71 110.05 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.561 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.28 -3.87 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.76 -179.399 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.42 ' HB1' ' HA ' ' B' ' 47' ' ' VAL . . . -130.38 150.87 51.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.107 0.479 . . . . 0.0 111.462 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.709 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 17.1 p -89.71 163.0 15.29 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.812 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 134.43 163.41 10.23 Favored Glycine 0 C--N 1.317 -0.489 0 CA-C-N 115.243 -0.89 . . . . 0.0 112.361 -179.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . 0.445 ' HA ' ' HG3' ' B' ' 109' ' ' GLN . 1.9 p-10 -95.16 120.78 35.97 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.864 0.364 . . . . 0.0 110.962 179.862 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -143.27 179.13 7.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -158.22 107.67 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.636 -179.701 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.43 ' HA ' ' O ' ' B' ' 42' ' ' ASN . 59.8 tp -55.28 148.51 14.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.603 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.602 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 28.0 mt-10 -147.21 128.05 14.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.081 0.467 . . . . 0.0 111.946 -179.003 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.503 ' HB2' ' HB3' ' B' ' 104' ' ' PHE . 5.2 mp -144.69 154.61 42.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.334 178.772 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 22.6 m -141.16 168.25 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 179.805 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 90' ' ' TYR . . . . . 0.44 ' CB ' ' HB2' ' B' ' 102' ' ' GLU . 30.7 t80 -112.85 84.87 2.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.606 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.428 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 16.2 ptp180 -144.8 169.25 18.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.757 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.583 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 82.2 mtt180 -66.5 140.15 96.44 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.132 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 93' ' ' PRO . . . . . 0.582 ' HG3' ' HB2' ' B' ' 37' ' ' ARG . 3.9 Cg_exo -79.91 20.24 0.92 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.141 2.561 . . . . 0.0 114.954 -177.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 94' ' ' TRP . . . . . 0.435 ' CZ3' ' HG2' ' B' ' 95' ' ' GLU . 34.0 p-90 -127.07 -12.13 5.84 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.12 0.486 . . . . 0.0 109.944 179.253 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.583 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 36.7 mt-10 -73.72 -45.2 53.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.027 -179.832 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 49.8 mttm 69.01 -9.88 0.55 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.483 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . 0.464 ' H ' ' C ' ' B' ' 95' ' ' GLU . 16.8 t70 -176.88 94.46 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -153.65 -174.46 4.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.189 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -92.67 109.47 38.99 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.78 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . 0.428 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 4.0 Cg_endo -84.53 174.19 7.98 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.8 2.333 . . . . 0.0 112.288 -179.799 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -98.61 -37.5 9.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.79 179.782 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.44 ' HB2' ' CB ' ' B' ' 90' ' ' TYR . 23.1 mt-10 -116.07 -170.39 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.656 179.666 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.9 p -170.29 161.71 8.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.785 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . 0.503 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 3.2 t80 -154.12 147.62 25.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.749 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 81.3 p -169.55 117.91 0.62 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.802 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 106' ' ' CYS . . . . . 0.411 ' HB2' ' HB3' ' B' ' 86' ' ' LEU . 55.9 m -114.6 143.52 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.572 -179.717 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.471 ' C ' ' HA ' ' B' ' 16' ' ' LEU . . . -93.02 129.97 38.76 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.542 179.51 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 50.9 mt -149.08 107.25 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.293 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . 0.601 ' O ' ' HA ' ' B' ' 17' ' ' LYS . 29.1 tt0 -125.19 96.72 4.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.351 178.154 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 1.593 ' CG1' HG22 ' B' ' 110' ' ' VAL . 44.6 t -60.02 -95.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.471 -179.031 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.507 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 39.1 mmt180 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 25.9 ptm . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.813 0.34 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 101.2 123.37 5.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.481 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 52.1 m -88.17 121.59 30.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 53.2 m -91.58 -20.16 21.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -83.93 175.43 9.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -89.32 139.27 30.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -137.21 -27.24 0.98 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -77.62 -4.49 46.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -87.87 125.31 34.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -70.41 134.24 47.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.2 p -135.22 -42.02 0.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.6 t -159.47 126.9 4.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -91.18 158.23 25.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' -7' ' ' LEU . . . . . 1.589 ' CD1' HD23 ' B' ' -7' ' ' LEU . 1.0 OUTLIER -141.48 152.78 44.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 0.0 111.1 -179.847 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . 0.601 ' N ' ' CD ' ' B' ' -5' ' ' PRO . 28.1 m -103.98 -27.63 0.21 Allowed Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' -5' ' ' PRO . . . . . 0.607 ' HD2' ' HB2' ' B' ' -7' ' ' LEU . 52.8 Cg_exo -55.47 -60.13 0.61 Allowed 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 121.808 1.672 . . . . 0.0 112.444 -179.906 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -72.65 147.03 46.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.975 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 144.4 54.17 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.491 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 37.4 t -118.0 165.27 13.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 59.46 14.96 4.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.044 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 69.4 mtm -137.68 -167.9 2.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . 0.519 ' HA ' ' HA ' ' B' ' 22' ' ' GLN . 11.2 pt20 -57.79 159.8 5.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.992 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.614 ' C ' ' H ' ' B' ' 4' ' ' VAL . 14.0 mtpp -122.94 163.79 31.12 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.034 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.475 ' HD2' ' HE3' ' B' ' 2' ' ' LYS . 73.2 Cg_endo -70.32 15.92 0.26 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.818 2.345 . . . . 0.0 110.614 178.869 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.614 ' H ' ' C ' ' B' ' 2' ' ' LYS . 7.1 p 44.06 94.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 114.3 -1.318 . . . . 0.0 112.043 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.3 p -79.02 107.6 11.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.815 -179.827 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.432 HG21 ' O ' ' B' ' 25' ' ' VAL . 1.7 m -72.6 162.48 29.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.501 -179.427 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 42.1 mt -122.65 -171.59 2.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.949 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -167.65 -28.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -119.61 161.59 20.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.757 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.83 -34.06 11.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.564 -179.723 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.71 -18.95 65.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.064 -179.818 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -84.79 -8.24 58.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.006 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 52.8 m -87.34 155.55 20.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.319 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 30.4 m -164.63 158.85 15.33 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.425 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -60.09 79.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.374 2.049 . . . . 0.0 111.797 179.367 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 60.4 tp -98.69 150.95 21.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.465 -179.306 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -93.84 142.82 26.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.842 179.346 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.629 ' HB2' HG11 ' B' ' 110' ' ' VAL . 11.0 mp -118.33 -168.02 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.843 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 51.2 m -142.02 133.76 27.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.547 HE21 ' HA ' ' B' ' 80' ' ' ALA . 76.6 mt-30 -56.03 109.36 0.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.681 179.871 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.45 -33.13 1.7 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.679 -179.828 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.522 ' HB2' ' HB2' ' B' ' 2' ' ' LYS . 2.2 pt20 -86.47 -169.5 2.67 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.619 0.247 . . . . 0.0 110.479 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.533 ' HB3' ' HD3' ' B' ' 77' ' ' ARG . 10.5 pt-20 -156.52 -176.28 5.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.134 0.492 . . . . 0.0 111.589 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.453 ' HA ' HG21 ' B' ' 4' ' ' VAL . 35.1 tp -147.97 149.86 32.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.631 179.469 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 1.598 ' CG1' HG22 ' B' ' 25' ' ' VAL . 73.6 t -134.91 148.08 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.729 179.655 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 1.571 ' CD1' HD22 ' B' ' 26' ' ' LEU . 90.5 mt -128.21 137.73 52.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.071 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.6 m -139.7 122.28 16.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.3 mt -137.67 148.15 60.0 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.08 131.79 43.49 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.553 2.169 . . . . 0.0 112.429 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 81.6 p -168.56 114.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.794 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -98.95 142.93 25.45 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -78.01 1.62 8.74 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.639 2.226 . . . . 0.0 112.48 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 78.6 p -100.4 4.03 43.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.273 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 73.0 p -102.09 -64.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.209 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.29 -35.79 2.44 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.066 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -76.03 97.97 4.18 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.929 0.395 . . . . 0.0 111.078 179.757 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -92.0 -153.74 0.35 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.177 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -126.08 107.13 10.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.332 . . . . 0.0 111.062 179.797 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -83.56 124.76 31.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.694 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.08 123.23 21.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 -179.728 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -102.36 -40.59 6.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.666 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.574 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 8.4 t30 -154.5 92.34 2.96 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.777 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.82 9.17 2.78 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.547 2.165 . . . . 0.0 112.654 -179.72 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.23 25.22 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.99 -11.17 5.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 -179.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 53.4 m -64.58 -32.21 73.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.436 HG22 ' HG ' ' B' ' 48' ' ' LEU . 28.3 m -123.28 -45.84 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.497 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 1.599 HD12 ' CD2' ' B' ' 48' ' ' LEU . 14.0 mt -81.84 144.73 30.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 110.182 179.846 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.59 ' HZ2' ' HB3' ' B' ' 49' ' ' LYS . 5.6 ttpm? -86.64 127.74 34.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.844 -179.706 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -84.27 146.79 27.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.293 -179.7 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 mp -107.21 -178.91 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.652 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.59 175.88 33.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.569 -179.846 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -81.47 118.7 3.26 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.845 2.363 . . . . 0.0 112.537 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -141.37 4.68 1.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.996 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 1.604 HG23 ' CG1' ' B' ' 55' ' ' VAL . 8.8 p -89.37 5.22 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.153 0.502 . . . . 0.0 110.794 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -125.23 123.92 40.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -141.42 -76.2 0.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 179.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -169.85 -65.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 44.1 t -135.31 170.99 15.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.983 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -76.94 176.72 8.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.963 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -135.75 -26.0 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -133.22 -44.44 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 80.7 p -162.89 -56.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.16 26.08 68.88 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.588 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 92.2 mt -95.15 17.69 13.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.369 0.604 . . . . 0.0 110.751 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 46.3 t -139.05 -29.04 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.88 -158.4 28.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.457 -179.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 41.7 m 58.46 17.76 5.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.771 0.319 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 165.16 42.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.403 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 155.53 159.74 9.52 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.358 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 58.51 -175.83 0.08 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.834 0.349 . . . . 0.0 111.085 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 47.7 t -94.68 114.65 26.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.784 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 71.6 m -129.5 109.57 11.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.83 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -101.62 144.53 30.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -136.11 130.25 33.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.2 -179.818 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -137.63 120.21 16.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.609 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.533 ' HD3' ' HB3' ' B' ' 23' ' ' GLU . 10.2 tpp180 -94.99 124.08 38.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 1.594 ' CG2' HG12 ' B' ' 78' ' ' VAL . 21.4 t -61.7 127.68 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.768 179.841 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -119.98 -36.69 3.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.804 -179.412 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.547 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -141.32 174.3 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.949 0.404 . . . . 0.0 111.496 -179.86 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.655 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 8.6 p -84.35 -169.77 2.77 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.176 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.95 157.65 11.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.543 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -88.5 152.49 21.84 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.646 0.26 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.43 ' OD2' ' HB ' ' B' ' 108' ' ' ILE . 10.0 p-10 -167.43 -175.72 2.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -166.13 106.05 0.68 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.742 -179.827 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 1.603 HD11 ' CD2' ' B' ' 86' ' ' LEU . 13.2 mt -59.53 137.94 57.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.034 0.445 . . . . 0.0 111.043 -179.696 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.574 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 12.2 mt-10 -137.91 113.44 9.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.78 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.409 ' N ' HD13 ' B' ' 88' ' ' LEU . 5.2 mp -128.05 117.1 21.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.898 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 1.611 ' CG1' HG22 ' B' ' 89' ' ' VAL . 10.0 p -104.73 160.12 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.74 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 90' ' ' TYR . . . . . 0.532 ' HB2' ' HB2' ' B' ' 102' ' ' GLU . 0.3 OUTLIER -74.08 -88.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.248 179.867 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.497 ' HG3' ' HA ' ' B' ' 100' ' ' PRO . 7.3 mtm180 48.48 -165.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.956 0.408 . . . . 0.0 111.602 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -124.98 151.3 68.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.427 179.651 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.5 -15.45 49.7 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.722 2.281 . . . . 0.0 113.291 -179.403 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 94' ' ' TRP . . . . . . . . . . . . . 38.8 p90 -111.42 24.31 12.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.757 0.313 . . . . 0.0 111.597 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -123.14 106.53 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.078 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -84.75 102.56 13.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.687 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 56.42 82.75 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.041 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.83 172.13 13.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -57.94 109.64 1.94 Allowed Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . 0.497 ' HA ' ' HG3' ' B' ' 91' ' ' ARG . 5.1 Cg_exo -80.46 160.96 22.53 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.083 2.522 . . . . 0.0 112.552 -179.677 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . 0.459 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -99.84 -69.28 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.701 179.598 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.532 ' HB2' ' HB2' ' B' ' 90' ' ' TYR . 19.7 mt-10 -97.26 -174.7 3.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.789 179.492 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 42.9 t -167.15 174.68 8.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -172.57 122.55 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.777 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 87.6 p -132.06 118.58 19.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.624 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 29.6 t -123.71 129.29 50.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.187 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -79.0 139.54 38.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.699 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . 0.503 HD13 ' HG ' ' B' ' 86' ' ' LEU . 65.6 mt -146.7 135.24 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.267 -179.367 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -141.59 149.95 41.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.312 179.264 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 1.601 ' CG2' HG12 ' B' ' 110' ' ' VAL . 11.6 t -137.14 153.47 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.908 0.385 . . . . 0.0 111.263 -179.779 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.58 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 19.2 tpt180 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.786 179.466 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 58.9 ttp . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.786 0.327 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -173.6 -27.16 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 47.3 t -92.16 -24.19 19.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.736 0.303 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 80.4 p -144.04 140.85 29.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 44.4 t60 -145.61 115.54 7.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.756 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -125.01 170.85 10.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -72.16 135.67 46.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -65.05 -63.75 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.047 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -149.16 109.48 4.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.781 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -164.38 129.32 2.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 54.4 m 58.79 -172.68 0.1 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 81.2 p -144.28 -178.89 6.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -142.5 78.82 0.27 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.447 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 56.2 tp -159.64 142.53 13.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . 1.597 ' CG2' HG12 ' B' ' -6' ' ' VAL . 17.3 m -123.93 140.69 35.15 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.12 -36.42 47.72 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.644 2.229 . . . . 0.0 112.244 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -125.89 140.65 52.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 140.4 -54.21 0.66 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.358 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 80.0 p -138.05 128.17 25.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.748 0.309 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -124.41 114.09 19.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.033 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 16.1 tpt -155.13 114.77 3.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.751 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -128.43 -171.05 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.587 ' C ' ' H ' ' B' ' 4' ' ' VAL . 3.6 mtpt -121.59 155.42 59.64 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.467 ' HD2' ' HE2' ' B' ' 2' ' ' LYS . 32.7 Cg_exo -64.36 7.32 0.24 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 123.246 2.63 . . . . 0.0 110.888 178.378 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.643 ' HB ' ' HG3' ' B' ' 23' ' ' GLU . 2.4 p 44.44 100.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 114.439 -1.255 . . . . 0.0 112.088 179.627 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 1.593 HG11 ' CG2' ' B' ' 5' ' ' VAL . 39.7 t -82.91 138.83 18.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.129 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.1 m -80.09 163.76 23.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.002 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.484 HD11 HD13 ' B' ' 24' ' ' LEU . 11.7 mt -134.52 -176.59 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.166 0.508 . . . . 0.0 111.311 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -169.65 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.289 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -148.59 157.44 43.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.352 179.509 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.6 98.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.196 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -142.92 -63.83 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.005 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.22 -69.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 -179.745 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.489 ' HB2' ' HB3' ' B' ' 106' ' ' CYS . 0.8 OUTLIER -75.16 123.59 25.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.063 -179.93 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.619 ' H ' ' HD2' ' B' ' 15' ' ' PRO . 7.4 p 179.48 -41.23 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.855 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . 0.619 ' HD2' ' H ' ' B' ' 14' ' ' SER . 88.1 Cg_endo -82.03 17.24 1.58 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.047 1.831 . . . . 0.0 113.164 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.687 ' HG ' ' HB3' ' B' ' 107' ' ' ALA . 3.8 mp 60.44 -83.4 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.366 0.603 . . . . 0.0 111.275 179.642 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' B' ' 16' ' ' LEU . 52.8 mtpt -25.83 118.15 0.07 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.103 -1.408 . . . . 0.0 112.102 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 tp -149.07 -159.62 1.06 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.298 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -155.74 153.36 29.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.402 ' HG3' HG23 ' B' ' 110' ' ' VAL . 97.9 mt-30 -62.12 166.88 4.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.25 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.39 -22.69 5.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.423 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.48 ' O ' HG12 ' B' ' 78' ' ' VAL . 0.0 OUTLIER -71.24 112.19 7.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.87 0.367 . . . . 0.0 111.395 -179.8 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.643 ' HG3' ' HB ' ' B' ' 4' ' ' VAL . 0.2 OUTLIER -101.66 159.52 15.24 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.793 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 1.596 HD23 ' CD1' ' B' ' 24' ' ' LEU . 5.0 tt -153.75 138.96 17.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.156 0.503 . . . . 0.0 111.803 -179.23 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.511 ' HA ' ' O ' ' B' ' 74' ' ' TRP . 61.5 t -117.0 119.66 62.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.383 179.307 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 1.603 HD11 ' CD2' ' B' ' 26' ' ' LEU . 65.1 mt -97.88 170.21 9.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.149 0.5 . . . . 0.0 111.699 -179.151 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 86.2 m -135.54 94.45 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.219 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 1.604 HD12 ' CD2' ' B' ' 28' ' ' LEU . 6.3 mt -146.33 -53.18 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.726 ' HD2' ' H ' ' B' ' 28' ' ' LEU . 27.4 Cg_exo -30.83 137.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 123.201 2.601 . . . . 0.0 113.505 -179.257 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.479 ' HA ' ' HA3' ' B' ' 70' ' ' GLY . 13.7 t -145.56 122.01 11.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.855 -179.541 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . 0.461 ' H ' ' HA3' ' B' ' 70' ' ' GLY . 0.6 OUTLIER -136.63 50.93 4.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.398 179.686 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' B' ' 31' ' ' ASN . 92.3 Cg_endo -81.7 105.95 1.6 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.557 2.171 . . . . 0.0 111.602 179.392 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 4.8 m 63.32 9.15 3.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.171 0.51 . . . . 0.0 110.035 -178.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 58.1 p 57.19 163.48 0.03 OUTLIER 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.023 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.87 -28.72 4.58 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.698 -179.475 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -140.78 118.86 11.93 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.846 0.355 . . . . 0.0 110.372 179.587 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -125.29 -164.28 1.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.061 -179.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -121.38 153.96 37.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.36 179.204 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -127.47 138.45 52.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.868 0.366 . . . . 0.0 111.128 -179.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.461 HD11 ' HB3' ' B' ' 43' ' ' PRO . 91.4 mt -94.9 104.73 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.784 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.5 ' HB2' ' HB3' ' B' ' 87' ' ' GLU . 31.2 mmm180 -76.39 -18.41 58.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.58 179.788 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.448 ' O ' ' HA ' ' B' ' 86' ' ' LEU . 4.5 t30 -175.19 86.88 0.31 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.57 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.461 ' HB3' HD11 ' B' ' 40' ' ' LEU . 67.3 Cg_endo -73.41 4.49 3.87 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.578 2.186 . . . . 0.0 112.711 -179.726 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.89 22.46 5.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.923 -179.715 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.77 -11.18 2.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 -179.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -62.23 -31.5 72.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.041 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.409 HG21 HD12 ' B' ' 48' ' ' LEU . 35.8 m -127.69 -9.17 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.682 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 1.605 HD13 ' CD2' ' B' ' 48' ' ' LEU . 13.8 mt -112.63 148.63 34.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -103.33 143.27 32.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 -179.788 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.514 HH21 ' HA ' ' B' ' 53' ' ' PRO . 14.8 ptm180 -92.76 150.86 20.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.639 179.708 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 1.59 ' CD1' HD21 ' B' ' 51' ' ' LEU . 3.8 mm? -93.52 -1.92 54.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.237 -179.545 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 141.55 159.12 7.8 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.834 179.679 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . 0.514 ' HA ' HH21 ' B' ' 50' ' ' ARG . 37.4 Cg_exo -61.55 -67.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.778 2.319 . . . . 0.0 112.439 179.841 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.11 166.73 16.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 1.602 HG21 ' CG1' ' B' ' 55' ' ' VAL . 18.9 m -142.34 16.78 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.282 -179.905 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -58.82 131.13 50.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 55.3 m -65.84 172.45 3.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.015 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -122.65 -53.07 1.89 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 79.5 p -141.83 -39.94 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 58.44 -172.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.183 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -129.15 -46.97 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.971 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -160.13 4.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.781 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 56.1 m -66.31 -56.98 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.01 54.73 32.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.239 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.9 mt -92.44 20.12 6.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.21 0.529 . . . . 0.0 110.747 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 1.608 HG22 ' CG1' ' B' ' 66' ' ' VAL . 83.9 t -135.31 109.68 11.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -106.97 -146.76 13.42 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.451 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 91.2 p -83.99 -25.71 29.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.777 0.322 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.07 128.63 2.2 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.612 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' B' ' 30' ' ' SER . . . 79.28 106.71 0.23 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -83.45 -41.63 17.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.393 . . . . 0.0 111.128 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.3 m 53.66 84.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.342 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 73' ' ' THR . . . . . 0.567 ' H ' ' HG2' ' B' ' 29' ' ' PRO . 82.2 m -159.85 131.75 6.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.464 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.636 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 9.7 m95 -137.68 141.03 41.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.438 179.225 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -122.71 112.32 17.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.849 0.357 . . . . 0.0 111.223 -179.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -132.75 114.98 14.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.422 ' HD2' ' N ' ' B' ' 78' ' ' VAL . 2.9 tmm_? -116.88 129.13 55.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.379 179.685 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 1.587 HG11 ' CG2' ' B' ' 78' ' ' VAL . 18.3 t -71.12 126.19 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.264 -179.637 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -130.74 -9.33 3.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.647 -179.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -139.75 154.35 47.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.936 0.398 . . . . 0.0 111.332 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.597 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 10.9 p -89.16 165.4 14.5 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 134.59 170.1 12.14 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.586 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -99.28 127.33 45.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.339 . . . . 0.0 111.058 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -149.87 175.88 11.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -149.75 111.77 4.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.784 -179.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' B' ' 42' ' ' ASN . 58.1 tp -63.52 152.0 39.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.963 0.411 . . . . 0.0 111.007 -179.694 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.5 ' HB3' ' HB2' ' B' ' 41' ' ' ARG . 67.5 mm-40 -151.68 134.23 15.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.337 -179.159 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 mp -146.26 145.54 30.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.057 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.419 HG21 ' HG2' ' B' ' 91' ' ' ARG . 28.2 m -144.63 150.76 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.618 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 90' ' ' TYR . . . . . 0.576 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 15.4 t80 -94.61 101.57 13.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.977 0.418 . . . . 0.0 111.299 -179.409 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.419 ' HG2' HG21 ' B' ' 89' ' ' VAL . 37.8 ptt180 -169.17 154.23 5.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.569 179.8 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.612 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 80.0 mtt180 -58.8 145.43 78.55 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.517 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 93' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 5.2 Cg_exo -76.95 -25.01 9.35 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.129 2.553 . . . . 0.0 114.014 -178.676 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 94' ' ' TRP . . . . . 0.449 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 28.5 p90 -93.83 14.99 17.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.913 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.612 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 38.6 mt-10 -92.17 131.16 37.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 179.622 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -88.89 97.03 10.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 56.4 89.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.06 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.09 143.85 38.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.09 115.89 33.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.47 146.85 28.01 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.511 2.141 . . . . 0.0 112.363 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . 0.447 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -65.7 -59.5 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.606 179.738 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.576 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 19.6 mt-10 -99.43 -175.54 3.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.727 179.549 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 38.4 t -165.32 162.83 19.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -168.59 157.82 8.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.763 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 97.2 p -168.75 151.64 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.006 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 106' ' ' CYS . . . . . 0.489 ' HB3' ' HB2' ' B' ' 13' ' ' CYS . 1.5 m -145.11 164.17 32.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.264 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.687 ' HB3' ' HG ' ' B' ' 16' ' ' LEU . . . -113.98 131.98 56.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.009 -179.567 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 31.3 mt -143.72 111.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.416 . . . . 0.0 111.577 -179.778 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -135.8 98.19 3.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.185 179.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 1.604 HG21 ' CG1' ' B' ' 110' ' ' VAL . 32.7 t -60.99 -93.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.476 -179.103 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.507 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 40.7 mmt180 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.019 179.696 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 96.2 mmm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.776 0.322 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -156.39 158.49 28.73 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.387 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 55.9 m -94.71 129.94 41.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.712 0.291 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 46.3 t -150.37 166.19 30.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.776 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -78.43 2.56 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -64.46 97.98 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 39.1 m80 59.74 -85.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -133.05 164.45 26.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.96 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -91.42 -56.12 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -142.75 151.27 41.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.787 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.0 p -58.47 116.7 3.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 54.0 m -80.62 179.46 7.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 100.79 -120.06 6.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.419 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.86 134.69 36.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.955 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 34.4 m -129.22 146.7 61.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.11 -179.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -60.25 153.65 57.82 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.634 2.223 . . . . 0.0 112.174 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -161.41 141.03 10.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 115.06 -108.91 2.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.473 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 48.9 m -99.79 131.0 46.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -111.91 -39.85 4.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 0' ' ' MET . . . . . 0.481 ' HE3' ' HA ' ' B' ' 0' ' ' MET . 30.7 mmt -69.05 -19.53 64.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -122.68 102.25 7.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.635 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.54 ' O ' ' HB2' ' B' ' 22' ' ' GLN . 50.2 mtpt -148.77 163.52 25.46 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.217 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.518 ' HD2' ' HB3' ' B' ' 2' ' ' LYS . 19.2 Cg_endo -53.41 -5.46 0.26 Allowed 'Trans proline' 0 CA--C 1.513 -0.547 0 C-N-CA 123.347 2.698 . . . . 0.0 112.558 -178.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 1.599 HG23 ' CG1' ' B' ' 4' ' ' VAL . 57.5 t -150.69 -81.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.902 178.903 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 1.584 HG13 ' CG2' ' B' ' 5' ' ' VAL . 40.6 t 78.5 104.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.441 -178.707 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.87 153.67 25.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.209 -179.535 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 1.606 ' CD2' HD13 ' B' ' 7' ' ' LEU . 64.1 tp -140.27 150.79 44.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.669 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -142.71 -32.18 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.004 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -89.87 178.86 6.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.88 -21.26 4.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.159 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -78.54 -16.83 57.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -86.12 10.31 14.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 36.1 m -93.65 152.32 19.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.928 0.394 . . . . 0.0 111.325 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 16.6 t -174.05 150.18 1.57 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.269 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -55.97 86.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.187 1.924 . . . . 0.0 111.825 179.555 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.403 HD11 ' H ' ' B' ' 17' ' ' LYS . 59.2 tp -100.57 152.25 20.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.49 -179.342 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.403 ' H ' HD11 ' B' ' 16' ' ' LEU . 19.5 mttp -101.79 94.18 5.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.677 179.482 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 1.608 ' CD1' HD21 ' B' ' 18' ' ' LEU . 10.1 mp -67.66 -168.41 0.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 29.8 m -136.3 145.32 45.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.413 HE21 ' HA ' ' B' ' 80' ' ' ALA . 85.3 mt-30 -73.92 98.48 3.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.89 -19.42 0.66 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.41 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . 0.54 ' HB2' ' O ' ' B' ' 2' ' ' LYS . 3.7 pt20 -99.32 -168.64 1.64 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.74 0.305 . . . . 0.0 110.737 179.911 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.573 ' HG2' ' HG2' ' B' ' 77' ' ' ARG . 25.2 mt-10 -145.94 -158.05 0.86 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.871 0.367 . . . . 0.0 111.217 -179.813 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 1.607 HD11 ' CD2' ' B' ' 24' ' ' LEU . 8.4 tt -177.98 139.52 0.22 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.585 179.007 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 1.609 ' CG1' HG21 ' B' ' 25' ' ' VAL . 69.0 t -132.78 141.66 44.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.433 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 63.4 tp -118.43 138.73 52.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.708 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 63.7 m -136.21 113.74 10.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.304 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -144.73 150.93 48.45 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.793 179.838 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.498 ' HA ' ' HA ' ' B' ' 71' ' ' GLU . 52.1 Cg_exo -54.79 132.71 53.39 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.618 2.212 . . . . 0.0 112.028 179.885 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 51.0 p -142.63 -28.52 0.58 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.655 -179.595 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . 0.611 ' N ' ' HD3' ' B' ' 32' ' ' PRO . 85.2 m-20 -130.92 44.77 1.48 Allowed Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.69 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . 0.611 ' HD3' ' N ' ' B' ' 31' ' ' ASN . 34.5 Cg_exo -56.76 -39.0 94.49 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.02 1.813 . . . . 0.0 111.088 178.685 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 64.9 p -143.6 10.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.353 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 32.2 p 60.1 150.46 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.917 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.19 -18.89 6.48 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.12 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -143.11 115.23 8.36 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.71 0.29 . . . . 0.0 110.836 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -107.96 -167.14 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.973 0.416 . . . . 0.0 111.463 179.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -114.38 158.06 22.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.824 179.466 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -128.65 117.35 21.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.493 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.446 HD12 ' HB3' ' B' ' 43' ' ' PRO . 96.1 mt -75.67 96.21 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.703 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -80.08 -14.59 58.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.09 179.35 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.584 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 54.2 t-20 -171.3 81.04 0.51 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . 0.446 ' HB3' HD12 ' B' ' 40' ' ' LEU . 61.3 Cg_endo -72.47 12.22 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.674 2.249 . . . . 0.0 112.717 -179.671 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.484 ' HA ' ' OD1' ' B' ' 84' ' ' ASP . . . 56.74 22.59 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.19 -8.59 5.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -70.83 -31.12 67.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.094 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.482 HG22 ' HG ' ' B' ' 48' ' ' LEU . 26.1 m -123.18 -44.94 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.66 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 1.564 HD12 ' CD2' ' B' ' 48' ' ' LEU . 17.3 mt -88.69 120.11 29.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.973 0.416 . . . . 0.0 110.728 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.497 ' HB2' ' HB3' ' B' ' 79' ' ' ALA . 75.9 tttt -58.72 148.89 27.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -101.67 123.51 45.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.076 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mp -112.61 -179.17 3.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.785 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.83 161.54 38.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.52 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -58.8 172.02 1.78 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.805 2.337 . . . . 0.0 112.378 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -130.11 -40.31 1.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 1.608 HG23 ' CG1' ' B' ' 55' ' ' VAL . 4.2 t -111.94 10.79 8.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.056 0.455 . . . . 0.0 110.875 -179.838 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -133.71 0.57 3.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.775 -179.872 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 54.4 m -61.85 168.27 3.2 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -97.82 -15.78 20.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 54.5 m -82.83 5.2 22.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -66.02 110.36 2.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -78.95 -64.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.7 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -89.61 142.73 27.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.668 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 51.1 m -63.68 100.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.966 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -115.73 72.29 0.26 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.174 179.699 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 27.8 mt -108.63 -143.68 0.38 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 121.157 0.503 . . . . 0.0 110.418 -179.746 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 1.593 HG13 ' CG2' ' B' ' 66' ' ' VAL . 59.9 t -114.15 -28.69 2.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 149.44 -84.17 0.17 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 71.3 p -68.37 -45.76 71.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.88 -172.54 23.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.563 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' B' ' 32' ' ' PRO . . . 82.22 58.59 2.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.498 ' HA ' ' HA ' ' B' ' 29' ' ' PRO . 47.1 mt-10 -150.03 -173.17 4.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.812 0.339 . . . . 0.0 110.79 -179.885 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 39.2 t -137.55 172.19 13.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.752 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 62.0 m -151.64 114.48 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.21 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 11.6 m-90 -115.94 117.72 30.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.688 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -101.9 137.83 39.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -141.22 134.44 29.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 77' ' ' ARG . . . . . 0.573 ' HG2' ' HG2' ' B' ' 23' ' ' GLU . 4.2 tmt_? -118.52 132.02 56.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.233 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 1.606 HG11 ' CG2' ' B' ' 78' ' ' VAL . 21.6 t -71.05 115.29 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.169 -179.425 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.497 ' HB3' ' HB2' ' B' ' 49' ' ' LYS . . . -105.1 -23.98 12.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.996 -179.37 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.413 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -160.63 179.33 8.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.135 0.493 . . . . 0.0 111.698 -179.753 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.667 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 5.9 p -85.19 -168.78 2.35 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.013 -179.847 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.71 156.2 11.32 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.562 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -95.15 146.67 24.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.762 0.315 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.484 ' OD1' ' HA ' ' B' ' 44' ' ' ALA . 6.0 t70 -165.6 -178.53 4.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.787 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -156.33 113.95 3.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.947 -179.782 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 1.601 HD13 ' CD2' ' B' ' 86' ' ' LEU . 3.6 mt -62.02 139.07 58.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.826 179.724 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.584 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 27.4 mt-10 -139.02 116.51 11.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.057 -179.571 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.554 HD12 HD11 ' B' ' 86' ' ' LEU . 5.3 mp -132.66 120.96 22.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.747 179.749 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 23.0 m -116.09 139.29 43.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.141 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 90' ' ' TYR . . . . . 0.456 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 6.2 t80 -86.6 109.55 19.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.016 -179.469 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.444 ' NH2' ' H ' ' B' ' 98' ' ' ALA . 13.4 ptm180 -167.82 157.2 9.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 92' ' ' ARG . . . . . 0.532 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 99.4 mtt180 -64.61 125.19 88.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.521 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 93' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 24.5 Cg_exo -63.87 -26.72 67.19 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.779 2.319 . . . . 0.0 113.215 -179.165 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 94' ' ' TRP . . . . . 0.433 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 13.3 p90 -81.05 18.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.571 0.224 . . . . 0.0 111.484 -179.472 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.532 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 46.5 mt-10 -97.25 171.74 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 111.051 179.69 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . 0.459 ' HG3' ' OD1' ' B' ' 97' ' ' ASP . 52.7 tptt -128.31 95.76 4.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 97' ' ' ASP . . . . . 0.459 ' OD1' ' HG3' ' B' ' 96' ' ' LYS . 3.0 p30 41.37 86.15 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.607 -179.479 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.444 ' H ' ' NH2' ' B' ' 91' ' ' ARG . . . -139.79 -178.3 5.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.817 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -84.04 132.42 48.24 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.085 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . 0.413 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 88.2 Cg_endo -94.77 176.31 1.04 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.215 2.61 . . . . 0.0 112.673 -179.703 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.09 -60.84 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.737 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.456 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 22.4 mt-10 -99.64 -173.6 2.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.566 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 79.0 p -166.32 151.25 8.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.606 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -147.6 134.94 20.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.008 0.432 . . . . 0.0 111.191 -179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 77.5 p -148.69 104.89 3.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.582 179.691 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 8.3 t -114.44 136.05 53.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.094 -179.565 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.51 134.32 34.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . 0.593 HG23 HD22 ' B' ' 48' ' ' LEU . 63.4 mt -144.77 124.27 6.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 -179.389 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -135.75 153.0 51.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.519 179.464 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . 1.608 HG13 ' CG2' ' B' ' 110' ' ' VAL . 18.8 t -142.55 153.56 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.373 . . . . 0.0 111.169 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.582 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 22.4 tpt180 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.838 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.506 ' O ' HG13 ' B' ' 5' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.118 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.499 HG23 ' O ' ' B' ' 25' ' ' VAL . 0.3 OUTLIER -160.54 158.02 28.43 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.261 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 61.2 tp -165.05 110.19 0.92 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.744 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.503 ' HA ' HD21 ' B' ' 28' ' ' LEU . 4.5 p30 -120.0 -41.07 2.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -64.19 143.53 57.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.48 13.15 30.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -95.11 -38.43 10.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -84.83 45.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.499 ' HB3' ' HA ' ' B' ' 106' ' ' CYS . 94.8 m -75.6 12.8 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.408 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 44.3 m -59.68 160.85 12.95 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.553 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 29.8 Cg_endo -63.59 75.89 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.272 1.981 . . . . 0.0 111.577 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.8 130.4 45.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.278 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.411 ' O ' HD12 ' B' ' 18' ' ' LEU . 4.0 mptp? -83.36 138.65 33.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.799 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.509 ' HB2' HG22 ' B' ' 110' ' ' VAL . 7.9 mp -123.5 -174.23 2.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.004 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 43.6 m -155.58 137.35 14.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.84 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -60.71 100.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 133.68 23.54 0.71 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.72 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.433 HE21 ' HB2' ' B' ' 22' ' ' GLN . 0.0 OUTLIER -130.44 133.77 46.59 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.733 179.809 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.71 -179.58 3.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.405 0.621 . . . . 0.0 111.795 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' B' ' 76' ' ' PHE . 28.5 tp -161.49 81.77 0.6 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.685 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.566 HG13 ' HG2' ' B' ' 75' ' ' ARG . 18.5 t -95.12 87.63 2.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.03 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 76.0 mt -57.53 160.58 4.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.253 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 62.5 m -152.6 108.61 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.76 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.503 HD21 ' HA ' ' B' ' 8' ' ' ASP . 78.2 mt -131.42 148.29 69.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.99 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.05 137.89 22.19 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.47 2.113 . . . . 0.0 112.353 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 75.9 p -159.76 159.17 32.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -125.5 102.23 29.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.51 2.42 5.18 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.504 2.136 . . . . 0.0 112.39 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 7.6 t -91.78 -6.2 52.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 62.3 p -101.0 -66.27 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.333 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.21 -28.52 1.68 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.04 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -84.29 105.15 14.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.907 0.384 . . . . 0.0 110.88 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -103.16 -163.2 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.017 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -109.54 107.9 18.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.639 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.0 133.37 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.982 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.581 HD21 ' HB3' ' B' ' 43' ' ' PRO . 54.6 tp -89.98 109.57 20.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.674 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -93.99 -73.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.081 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.546 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 49.5 t-20 -109.61 92.42 12.06 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.581 ' HB3' HD21 ' B' ' 40' ' ' LEU . 91.9 Cg_endo -79.59 13.61 2.05 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.533 2.155 . . . . 0.0 112.661 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.416 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 56.58 28.62 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.987 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.63 -8.53 2.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.42 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -63.67 -34.57 78.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.207 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.432 HG23 ' HG ' ' B' ' 48' ' ' LEU . 33.6 m -127.87 -36.88 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.562 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.582 HD22 HG22 ' B' ' 78' ' ' VAL . 12.6 mt -88.71 133.96 34.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.829 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -101.66 138.61 38.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.016 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.853 0.359 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 81.3 p -95.12 128.91 42.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 67.2 m -141.85 110.6 6.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.971 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 13.8 m-90 -108.87 113.29 26.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.566 ' HG2' HG13 ' B' ' 25' ' ' VAL . 96.4 mtt180 -100.29 115.76 30.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.55 ' HB2' ' HB3' ' B' ' 24' ' ' LEU . 80.3 m-85 -117.91 166.47 12.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -147.98 133.31 18.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.56 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.582 HG22 HD22 ' B' ' 48' ' ' LEU . 48.2 t -79.44 141.34 15.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.347 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -131.58 -41.79 1.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.178 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -131.66 166.82 20.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.696 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 73.0 m -93.7 -170.18 2.28 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.162 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.23 161.47 11.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.446 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -81.44 153.4 26.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.771 0.319 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -171.16 178.53 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -150.82 132.35 14.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.447 ' HG ' HD11 ' B' ' 88' ' ' LEU . 10.5 tp -92.31 136.82 32.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.588 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.546 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 10.6 mt-10 -138.01 123.97 20.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.952 0.406 . . . . 0.0 111.412 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.447 HD11 ' HG ' ' B' ' 86' ' ' LEU . 5.0 mp -140.64 133.17 28.6 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.506 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 28.1 m -116.44 167.96 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.196 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' TYR . . . . . 0.446 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 42.9 t80 -111.62 101.15 9.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.427 ' HB3' ' HA ' ' B' ' 100' ' ' PRO . 37.7 ptt180 -166.34 173.34 10.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.49 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 99.3 mtt180 -66.42 118.83 57.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.528 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 93' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 39.8 Cg_exo -61.61 -25.16 78.89 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.759 2.306 . . . . 0.0 113.124 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 94' ' ' TRP . . . . . 0.424 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 13.7 p90 -81.35 4.84 19.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.672 0.272 . . . . 0.0 111.517 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 95' ' ' GLU . . . . . 0.49 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 39.7 mt-10 -100.11 -179.17 4.06 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -143.54 115.26 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.048 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 56.49 26.6 11.09 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.7 -172.85 0.29 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -101.13 99.98 12.11 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 100' ' ' PRO . . . . . 0.427 ' HA ' ' HB3' ' B' ' 91' ' ' ARG . 73.6 Cg_endo -76.11 138.46 20.47 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.486 2.124 . . . . 0.0 112.616 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.48 -61.44 1.83 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.771 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.446 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 19.8 mt-10 -96.61 -174.16 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.54 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 44.9 t -163.67 172.22 14.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.286 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -169.09 141.25 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 78.6 p -173.07 111.31 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 111.068 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 106' ' ' CYS . . . . . 0.499 ' HA ' ' HB3' ' B' ' 13' ' ' CYS . 56.6 m -124.35 164.9 18.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.01 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.14 155.12 18.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.188 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 78.8 mt -147.16 140.97 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.633 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -147.24 121.89 9.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.645 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.696 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 17.1 t -103.89 154.13 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.024 0.44 . . . . 0.0 111.188 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.148 -0.929 . . . . 0.0 110.905 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.692 0.282 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -77.11 161.24 28.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.263 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 62.6 tp -151.49 147.41 26.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -145.15 -29.32 0.45 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -128.68 128.92 45.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.1 96.52 0.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -134.65 -55.9 0.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.975 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -76.91 -8.96 58.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.666 ' HB3' ' HA ' ' B' ' 106' ' ' CYS . 77.5 m -79.46 103.6 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.524 ' HB3' ' HD3' ' B' ' 15' ' ' PRO . 44.0 t -179.12 -49.15 0.0 OUTLIER Pre-proline 0 CA--C 1.531 0.246 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' PRO . . . . . 0.726 ' C ' HD23 ' B' ' 16' ' ' LEU . 95.0 Cg_endo -83.8 4.15 7.18 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.339 2.026 . . . . 0.0 113.968 -178.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.726 HD23 ' C ' ' B' ' 15' ' ' PRO . 0.4 OUTLIER 39.53 19.8 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.542 ' HG2' ' HG2' ' B' ' 15' ' ' PRO . 43.6 pttt -78.85 105.08 9.91 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.508 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -126.83 -168.03 1.81 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.023 0.44 . . . . 0.0 111.852 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 82.6 m -165.76 142.92 5.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.83 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.622 ' HG2' HG12 ' B' ' 78' ' ' VAL . 94.7 mt-30 -66.29 131.05 45.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.825 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.494 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 117.85 18.44 5.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.482 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -131.33 145.99 52.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.699 0.285 . . . . 0.0 110.586 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.596 ' HG2' ' HB2' ' B' ' 77' ' ' ARG . 43.8 mt-10 -117.88 -175.64 2.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.139 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.459 HD23 ' N ' ' B' ' 25' ' ' VAL . 7.2 tt -164.7 140.86 5.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.072 0.463 . . . . 0.0 111.457 179.08 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.459 ' N ' HD23 ' B' ' 24' ' ' LEU . 58.5 t -134.35 94.27 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.545 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.1 tp -81.29 146.25 30.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.184 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.8 m -154.68 102.82 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 88.6 mt -106.37 148.84 37.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -79.51 132.69 10.15 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.589 2.192 . . . . 0.0 112.361 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.1 p -139.91 -179.86 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.908 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ASN . . . . . 0.415 ' ND2' HG23 ' B' ' 34' ' ' THR . 51.6 t30 -141.28 96.45 7.1 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.791 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -58.31 -19.42 42.73 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.502 2.135 . . . . 0.0 112.268 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 55.9 m -59.79 -33.87 72.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.415 HG23 ' ND2' ' B' ' 31' ' ' ASN . 71.6 p -81.21 -63.65 1.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.219 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.13 -24.55 3.25 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.047 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -77.04 98.59 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.933 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.427 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -100.24 -160.25 0.79 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.037 179.286 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.427 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 90.3 m95 -114.9 130.79 56.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.809 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -111.98 141.84 45.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -92.05 104.69 17.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.987 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -84.73 -14.57 47.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.772 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.597 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 55.4 t-20 -169.32 85.87 0.62 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.721 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -78.08 11.69 2.25 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.584 2.189 . . . . 0.0 112.674 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.415 ' C ' ' H ' ' B' ' 46' ' ' SER . . . 55.18 35.88 25.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.29 11.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.564 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.415 ' H ' ' C ' ' B' ' 44' ' ' ALA . 42.9 t -92.94 -24.5 18.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.208 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 32.8 m -136.31 -35.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.717 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.512 HD11 HG21 ' B' ' 108' ' ' ILE . 85.4 mt -86.92 147.78 25.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.991 0.424 . . . . 0.0 111.182 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' B' ' 76' ' ' PHE . 0.3 OUTLIER -124.28 -162.15 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.391 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.494 ' HB2' ' HB3' ' B' ' 77' ' ' ARG . 6.9 mmt180 . . . . . 0 N--CA 1.462 0.14 0 CA-C-O 120.725 0.298 . . . . 0.0 111.159 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.819 0.342 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 45.1 t -73.69 166.87 22.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 65.9 m -144.44 125.35 14.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 111.168 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 7.9 m-90 -125.44 137.7 54.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.698 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.444 ' HG2' HG22 ' B' ' 25' ' ' VAL . 94.4 mtt180 -131.67 147.03 52.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' B' ' 49' ' ' LYS . 1.1 m-85 -148.64 173.28 13.36 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.487 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.596 ' HB2' ' HG2' ' B' ' 23' ' ' GLU . 6.3 tpt180 -163.94 130.02 3.08 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.676 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.622 HG12 ' HG2' ' B' ' 20' ' ' GLN . 23.2 t -66.43 122.1 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.577 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.33 0.67 1.72 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.837 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -153.22 155.62 36.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.933 0.397 . . . . 0.0 111.586 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.719 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 12.1 p -87.86 164.09 16.07 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.877 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 131.2 161.94 10.41 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.677 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ASP . . . . . 0.405 ' HA ' ' HG3' ' B' ' 109' ' ' GLN . 3.6 p30 -93.9 135.63 35.03 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.827 0.346 . . . . 0.0 111.039 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -152.58 179.66 8.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.107 0.48 . . . . 0.0 111.225 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -160.81 111.77 1.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.78 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.616 HD22 HD11 ' B' ' 88' ' ' LEU . 2.1 mt -62.04 140.27 58.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.742 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.597 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 29.0 mt-10 -138.85 116.35 11.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.221 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.616 HD11 HD22 ' B' ' 86' ' ' LEU . 5.0 mp -129.71 108.94 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.678 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 33.2 m -98.62 171.02 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 111.266 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' TYR . . . . . 0.543 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 37.0 t80 -122.0 101.98 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.93 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -164.47 177.06 8.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.484 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 98.9 mtt180 -65.15 123.11 83.15 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.633 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 93' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 3.0 Cg_exo -73.34 -11.49 24.78 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.89 2.393 . . . . 0.0 113.119 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 94' ' ' TRP . . . . . 0.484 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 34.5 p90 -99.32 15.16 27.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.35 . . . . 0.0 111.043 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -117.74 145.27 44.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.043 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -91.94 95.05 9.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.6 t70 57.51 95.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.41 171.25 14.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.445 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 39.6 mt-10 -68.4 112.77 12.02 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 100' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 99' ' ' GLU . 7.8 Cg_endo -88.61 139.24 3.97 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.148 2.566 . . . . 0.0 112.365 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.448 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -69.58 -60.37 2.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.668 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.543 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 19.3 mt-10 -101.18 -175.52 2.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.673 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 33.7 t -166.04 161.45 17.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.946 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -159.01 150.1 20.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.823 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 79.9 p -163.88 147.81 10.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 106' ' ' CYS . . . . . 0.666 ' HA ' ' HB3' ' B' ' 13' ' ' CYS . 8.8 m -142.49 139.51 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.448 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' B' ' 16' ' ' LEU . . . -84.39 127.97 34.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.042 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 108' ' ' ILE . . . . . 0.512 HG21 HD11 ' B' ' 48' ' ' LEU . 25.4 mt -143.57 134.02 21.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.946 0.403 . . . . 0.0 111.513 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 109' ' ' GLN . . . . . 0.497 ' HB2' HD12 ' B' ' 16' ' ' LEU . 26.6 tt0 -160.52 144.72 14.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.873 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.719 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 5.1 t -118.0 164.88 13.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.685 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.577 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 5.2 mpt_? . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.179 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.54 ' O ' HD12 ' B' ' 24' ' ' LEU . 84.9 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.745 0.307 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.653 HG23 HG23 ' B' ' 25' ' ' VAL . 5.0 m -83.68 164.47 19.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.068 0.461 . . . . 0.0 111.629 -179.297 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.473 ' N ' HG22 ' B' ' 6' ' ' THR . 59.7 mt -141.09 -176.19 4.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.444 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -166.46 -26.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.302 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -142.75 162.02 36.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.009 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.02 -38.53 20.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.482 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -56.72 -30.59 63.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.62 -25.41 41.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.974 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 90.4 m -64.6 131.02 45.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.506 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 20.0 m -147.35 161.43 36.18 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.423 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 19.0 Cg_endo -59.12 82.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.334 2.023 . . . . 0.0 111.85 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 42.7 tp -81.13 163.4 23.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.116 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.497 ' HD3' ' H ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -109.27 81.36 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.798 179.779 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 mp -71.8 -170.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.284 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.8 t -171.88 155.03 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.928 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -54.59 105.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.727 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 141.55 -16.1 2.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.326 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -100.3 165.83 11.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.663 0.268 . . . . 0.0 110.431 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.482 ' HG2' ' HA ' ' B' ' 77' ' ' ARG . 44.8 mt-10 -141.71 -161.23 1.19 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.835 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.54 HD12 ' O ' ' B' ' 5' ' ' VAL . 1.7 tp -159.85 151.4 19.95 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.281 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.653 HG23 HG23 ' B' ' 6' ' ' THR . 0.8 OUTLIER -141.87 89.26 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.629 178.805 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.43 ' HB2' ' HB2' ' B' ' 74' ' ' TRP . 97.8 mt -65.16 146.8 54.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.6 m -142.65 127.07 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.811 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.616 ' N ' HD13 ' B' ' 28' ' ' LEU . 0.0 OUTLIER -149.93 163.8 23.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.957 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -82.93 119.24 2.83 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 123.038 2.492 . . . . 0.0 112.018 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 80.3 p -161.1 -173.98 4.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.998 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ASN . . . . . 0.455 ' HB3' ' HD2' ' B' ' 32' ' ' PRO . 77.4 m-20 -130.49 159.03 72.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.549 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' B' ' 31' ' ' ASN . 43.0 Cg_endo -65.13 -150.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.583 2.189 . . . . 0.0 112.191 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' THR . . . . . 0.402 ' H ' ' HB2' ' B' ' 32' ' ' PRO . 73.9 p -56.26 83.84 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 111.265 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.451 ' N ' ' O ' ' B' ' 32' ' ' PRO . 56.3 p -120.61 -62.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.154 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.36 -60.44 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.645 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -93.38 114.37 26.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 111.273 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -113.51 -159.64 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.22 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -121.05 122.11 39.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.917 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -100.12 150.24 22.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.733 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 97.8 mt -95.52 100.67 12.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.191 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.447 HH11 ' NH2' ' B' ' 91' ' ' ARG . 24.2 mmm180 -71.86 -25.14 61.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.398 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.595 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 59.8 t30 -169.77 91.62 0.53 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.572 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -73.68 14.63 0.62 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.592 2.195 . . . . 0.0 112.746 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.416 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 54.18 27.52 7.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.936 0.398 . . . . 0.0 111.085 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.63 -11.51 3.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.403 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 44.9 t -62.18 -37.0 83.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.042 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.463 HG23 ' HG ' ' B' ' 48' ' ' LEU . 27.9 m -125.87 -42.26 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.474 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.547 HD22 HG22 ' B' ' 78' ' ' VAL . 15.7 mt -83.53 162.45 20.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.628 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -121.25 144.67 48.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.7 179.759 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.772 0.32 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 49.4 m -87.96 112.29 22.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 61.4 m -112.56 121.41 44.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.43 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 78.4 m95 -101.6 113.86 27.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.825 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.61 ' HG2' HG12 ' B' ' 25' ' ' VAL . 72.9 mtp180 -101.43 127.72 47.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -135.24 141.49 45.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.482 ' HA ' ' HG2' ' B' ' 23' ' ' GLU . 8.5 tpp180 -121.85 136.19 54.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.562 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.547 HG22 HD22 ' B' ' 48' ' ' LEU . 62.1 t -75.65 128.3 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.829 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -112.84 -39.64 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.654 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -135.48 156.99 48.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.803 0.335 . . . . 0.0 111.222 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.463 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 28.8 p -73.97 -174.12 1.77 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.89 156.39 13.4 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.495 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ASP . . . . . 0.481 ' HA ' ' HA ' ' B' ' 109' ' ' GLN . 3.8 p30 -90.68 147.05 23.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.804 0.335 . . . . 0.0 111.247 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -162.61 -172.57 3.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.591 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -156.0 119.1 4.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.161 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.477 ' HG ' HD12 ' B' ' 108' ' ' ILE . 11.9 mt -70.44 140.45 51.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.746 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.595 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 18.6 mt-10 -136.04 118.92 16.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.5 mp -131.16 153.4 49.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.607 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.449 HG22 ' N ' ' B' ' 90' ' ' TYR . 8.5 p -141.81 156.39 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.065 0.459 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 90' ' ' TYR . . . . . 0.48 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 61.8 t80 -105.68 109.66 21.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.887 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.463 ' HD3' ' HB3' ' B' ' 100' ' ' PRO . 38.3 ptt180 -169.51 176.97 4.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.415 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 97.4 mtt180 -61.63 127.7 89.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.377 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.97 -23.0 19.02 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.553 2.168 . . . . 0.0 113.377 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' TRP . . . . . 0.415 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 6.5 p90 -80.33 -13.34 59.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.655 0.264 . . . . 0.0 111.383 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -84.11 145.35 28.47 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.753 0.311 . . . . 0.0 111.067 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -92.72 -45.72 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.731 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -152.89 102.19 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.762 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.69 -170.38 3.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -89.96 108.11 23.71 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' PRO . . . . . 0.463 ' HB3' ' HD3' ' B' ' 91' ' ' ARG . 70.7 Cg_endo -74.39 -175.95 2.49 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.587 2.191 . . . . 0.0 112.361 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -112.59 -64.49 1.29 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.228 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.48 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 5.3 mm-40 -100.68 -163.78 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.267 0.556 . . . . 0.0 112.051 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 79.2 p -169.34 155.94 6.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.612 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -163.31 116.96 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.909 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 80.0 p -134.09 150.84 51.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 71.8 m -146.5 151.58 37.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -94.68 140.07 30.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.27 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' ILE . . . . . 0.502 HG21 HD11 ' B' ' 48' ' ' LEU . 95.9 mt -145.53 117.64 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.037 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 109' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' B' ' 83' ' ' ASP . 25.8 mt-30 -126.88 141.31 51.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.745 HG12 ' H ' ' B' ' 111' ' ' ARG . 2.2 t -120.23 178.58 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.384 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.745 ' H ' HG12 ' B' ' 110' ' ' VAL . 33.3 mmt180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.162 -0.923 . . . . 0.0 111.774 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.652 HG23 HD12 ' B' ' 24' ' ' LEU . 25.4 m . . . . . 0 C--O 1.232 0.181 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.05 170.15 10.46 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.987 0.422 . . . . 0.0 111.818 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 64.6 tp -164.02 148.95 10.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.689 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -142.57 -48.33 0.34 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.045 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -80.51 -179.7 7.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.36 -1.95 3.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.26 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -82.54 -32.0 28.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -84.88 -0.58 54.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 31.8 m -62.31 149.65 41.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.047 0.451 . . . . 0.0 111.266 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 34.2 t -170.58 147.74 2.59 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.275 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.54 83.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.345 2.03 . . . . 0.0 111.893 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' B' ' 109' ' ' GLN . 13.8 mt -76.3 178.5 6.44 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.55 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -131.1 90.67 2.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.424 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.535 ' HB2' HG22 ' B' ' 110' ' ' VAL . 10.3 mp -70.59 -170.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.975 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.0 m -146.59 138.66 24.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.048 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -58.73 97.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.802 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.448 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 153.07 -39.4 0.72 Allowed Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.005 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -86.7 -167.92 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.711 ' HB2' ' HA ' ' B' ' 77' ' ' ARG . 3.3 pt-20 -173.49 -164.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.391 -0.524 . . . . 0.0 112.133 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.652 HD12 HG23 ' B' ' 5' ' ' VAL . 0.2 OUTLIER -156.37 150.98 25.78 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.231 179.526 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.651 ' N ' ' HG ' ' B' ' 24' ' ' LEU . 73.5 t -129.06 115.0 34.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.588 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.469 ' HG ' HD21 ' B' ' 24' ' ' LEU . 90.5 mt -88.09 157.82 18.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.283 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 87.3 m -158.35 107.51 2.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . 86.9 mt -126.99 142.48 43.8 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.944 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 28' ' ' LEU . 21.0 Cg_exo -65.54 148.29 87.41 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.671 2.247 . . . . 0.0 112.262 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 63.1 p -169.47 117.56 0.62 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -87.96 113.59 55.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.18 -0.53 8.73 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.45 2.1 . . . . 0.0 112.415 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 56.1 m -72.85 -29.93 63.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 51.9 p -82.7 -67.42 0.79 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.308 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.1 -32.6 1.88 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.172 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -70.56 98.21 1.44 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.996 0.427 . . . . 0.0 110.878 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.452 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 14.9 mmm180 -93.84 -160.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.111 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.452 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 95.4 m95 -115.13 124.23 50.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.875 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -109.95 134.12 52.44 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.433 HD23 ' HG ' ' B' ' 88' ' ' LEU . 96.0 mt -83.43 100.2 10.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -74.29 -20.82 60.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.553 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.571 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 61.5 t30 -168.65 92.6 0.6 Allowed Pre-proline 0 CA--C 1.529 0.168 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.739 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -78.56 12.42 2.16 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.644 2.229 . . . . 0.0 112.806 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.525 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 53.52 32.5 14.32 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.812 0.339 . . . . 0.0 110.737 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.26 -17.34 1.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.896 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.421 ' HB3' ' OD1' ' B' ' 84' ' ' ASP . 39.4 t -59.05 -23.93 62.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.394 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 m -137.68 -27.13 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.525 HD12 ' HB3' ' B' ' 44' ' ' ALA . 79.7 mt -94.51 155.4 16.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.817 0.342 . . . . 0.0 110.999 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.509 ' HA ' ' HE3' ' B' ' 49' ' ' LYS . 0.2 OUTLIER -135.4 -155.96 0.68 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.551 179.842 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.595 ' HG3' ' HB2' ' B' ' 77' ' ' ARG . 3.4 mmp_? . . . . . 0 C--N 1.332 -0.189 0 CA-C-O 121.065 0.459 . . . . 0.0 111.083 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.908 0.385 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 58.0 m -99.77 143.64 29.76 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.121 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 59.3 m -146.3 121.99 10.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.404 ' HB3' ' CE1' ' B' ' 76' ' ' PHE . 7.9 m-90 -125.08 153.67 42.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.444 ' HD2' ' HB3' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -150.16 116.76 5.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.77 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.549 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 0.2 OUTLIER -121.05 145.77 47.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.025 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.711 ' HA ' ' HB2' ' B' ' 23' ' ' GLU . 2.9 tmt_? -114.88 138.71 50.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.742 0.306 . . . . 0.0 110.936 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.535 ' N ' ' HD3' ' B' ' 77' ' ' ARG . 61.5 t -61.98 108.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.063 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.446 ' HB2' ' HB2' ' B' ' 49' ' ' LYS . . . -85.89 -59.01 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -142.09 -177.36 5.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.117 0.484 . . . . 0.0 111.42 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.572 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 58.5 m -84.48 174.18 10.25 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.981 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.2 158.49 9.82 Favored Glycine 0 N--CA 1.453 -0.227 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.449 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -94.59 132.06 39.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 111.268 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.421 ' OD1' ' HB3' ' B' ' 46' ' ' SER . 4.0 m-20 -148.12 -178.33 6.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -156.39 118.77 4.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.56 ' HG ' HD12 ' B' ' 108' ' ' ILE . 17.0 mt -67.56 142.29 56.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.996 0.427 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.571 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 25.5 mt-10 -135.68 106.88 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.663 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.466 ' N ' HD12 ' B' ' 88' ' ' LEU . 5.4 mp -119.17 115.3 23.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.767 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 35.1 m -107.7 138.86 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' TYR . . . . . 0.537 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 56.2 t80 -87.12 101.18 13.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.82 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.544 ' HD3' ' HG3' ' B' ' 100' ' ' PRO . 40.3 ptt180 -163.89 -175.6 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -78.61 114.05 39.98 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.574 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.48 -29.22 45.15 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.623 2.215 . . . . 0.0 113.171 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 94' ' ' TRP . . . . . . . . . . . . . 7.9 p90 -71.03 -5.33 30.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.581 0.229 . . . . 0.0 111.311 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -96.6 160.85 14.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 0.0 110.956 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -91.16 -58.28 2.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -140.81 108.05 5.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.51 146.18 31.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.026 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.424 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 7.0 pt-20 -59.91 111.59 4.13 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 100' ' ' PRO . . . . . 0.544 ' HG3' ' HD3' ' B' ' 91' ' ' ARG . 3.0 Cg_exo -74.22 139.86 27.05 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.666 2.244 . . . . 0.0 112.206 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.15 -58.95 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.719 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.537 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 5.2 mm-40 -104.23 -161.89 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.388 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 103' ' ' SER . . . . . 0.413 ' H ' ' HB3' ' B' ' 102' ' ' GLU . 80.2 p -171.83 153.53 3.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.975 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -153.36 143.3 22.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.981 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 80.0 p -159.88 137.86 10.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.622 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 8.4 t -142.81 138.95 30.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.997 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.29 133.08 38.9 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.151 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' ILE . . . . . 0.56 HD12 ' HG ' ' B' ' 86' ' ' LEU . 96.3 mt -146.04 106.02 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.252 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 109' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' B' ' 16' ' ' LEU . 82.7 mt-30 -119.63 170.85 8.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.757 0.313 . . . . 0.0 110.779 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.572 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 21.7 t -141.72 155.61 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.736 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.433 ' N ' HG12 ' B' ' 110' ' ' VAL . 24.0 tpt180 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.395 -0.812 . . . . 0.0 110.983 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 121.071 0.463 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 m -74.26 162.54 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.659 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 60.8 tp -161.97 150.72 15.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.511 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -138.97 -42.05 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.014 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -91.88 152.69 19.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.536 ' C ' ' H ' ' B' ' 12' ' ' ASP . . . -85.84 -176.78 6.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.248 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 t70 64.1 -15.53 0.08 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.282 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.536 ' H ' ' C ' ' B' ' 10' ' ' ALA . 5.0 m-20 -107.97 14.06 25.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.997 0.427 . . . . 0.0 110.441 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' B' ' 106' ' ' CYS . 61.4 m -61.33 -173.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.018 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 52.0 m -84.5 125.06 72.62 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.257 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' PRO . . . . . 0.497 ' O ' ' N ' ' B' ' 17' ' ' LYS . 24.6 Cg_exo -63.01 79.84 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.357 2.038 . . . . 0.0 112.656 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.654 ' HG ' ' HB1' ' B' ' 107' ' ' ALA . 1.8 mp 45.13 -86.68 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.389 0.614 . . . . 0.0 112.112 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.566 ' H ' ' HD2' ' B' ' 17' ' ' LYS . 13.0 mptt -33.26 117.83 0.29 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.383 -1.28 . . . . 0.0 112.172 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.85 -161.84 1.14 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.728 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 27.9 m -158.66 145.13 17.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.481 ' HA ' HG12 ' B' ' 78' ' ' VAL . 19.8 mp0 -73.18 112.96 9.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.656 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 145.28 -18.99 1.9 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.396 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.9 172.64 6.68 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.648 0.261 . . . . 0.0 110.386 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.559 ' HB3' ' HD3' ' B' ' 77' ' ' ARG . 9.3 pt-20 -154.02 -171.61 3.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.088 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.448 HD23 ' N ' ' B' ' 25' ' ' VAL . 9.7 tt -161.52 149.6 15.29 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.061 0.458 . . . . 0.0 111.48 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.476 HG22 ' HG3' ' B' ' 75' ' ' ARG . 91.8 t -136.03 104.96 4.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.508 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 51.1 tp -88.9 147.23 24.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 88.7 m -154.85 114.43 3.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 80.5 mt -115.3 154.12 47.48 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -83.07 125.24 4.03 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.538 2.159 . . . . 0.0 112.628 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 48.4 t -172.44 113.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.808 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -76.46 139.36 67.57 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -79.22 -9.71 15.13 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.625 2.217 . . . . 0.0 112.535 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 66.8 p -79.78 -0.4 34.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 67.4 p -100.3 -57.93 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.38 -43.29 1.23 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.123 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -75.35 100.74 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.807 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.554 ' HB2' ' HG3' ' B' ' 93' ' ' PRO . 14.0 mmm180 -106.26 -160.16 0.73 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.272 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.471 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 93.1 m95 -124.26 129.39 50.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.734 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -116.66 153.73 31.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.208 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.565 HD23 ' HG ' ' B' ' 88' ' ' LEU . 80.0 mt -96.14 97.85 9.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -67.03 -20.68 65.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.415 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.602 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 61.3 t30 -167.59 93.09 0.67 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.483 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.14 -5.8 17.28 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.531 2.154 . . . . 0.0 112.914 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.499 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 57.84 24.69 11.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.791 0.329 . . . . 0.0 110.711 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.15 -11.56 1.72 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.57 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.3 m -61.14 -33.49 73.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.419 HG11 ' HA3' ' B' ' 82' ' ' GLY . 34.3 m -126.41 -23.99 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.895 0.378 . . . . 0.0 111.326 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.499 HD12 ' HB3' ' B' ' 44' ' ' ALA . 90.4 mt -96.4 145.3 25.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.1 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -119.73 -161.37 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.165 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.559 ' HD3' ' HB3' ' B' ' 77' ' ' ARG . 9.6 mpt_? . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.629 0.252 . . . . 0.0 111.433 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 58.9 m -65.04 143.6 57.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 68.1 m -136.37 110.45 8.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.07 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -117.07 124.81 50.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.737 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.476 ' HG3' HG22 ' B' ' 25' ' ' VAL . 48.7 ttp180 -137.65 137.15 38.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.302 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.55 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 0.0 OUTLIER -153.28 164.59 37.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.148 179.34 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.559 ' HB3' ' HD3' ' B' ' 50' ' ' ARG . 3.6 tpp180 -136.47 146.19 46.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.982 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.481 HG12 ' HA ' ' B' ' 20' ' ' GLN . 60.7 t -80.4 105.99 10.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 110.355 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.63 -59.02 2.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.817 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -126.25 -175.12 3.28 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.239 0.543 . . . . 0.0 111.719 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.761 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 6.4 p -83.43 -168.19 2.0 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.273 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' GLY . . . . . 0.419 ' HA3' HG11 ' B' ' 47' ' ' VAL . . . 118.36 167.72 14.08 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.311 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -107.74 133.27 52.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.123 0.487 . . . . 0.0 111.48 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -161.02 -178.78 7.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.668 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -162.01 116.43 1.89 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.812 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.644 HD12 HD11 ' B' ' 88' ' ' LEU . 0.3 OUTLIER -62.54 129.61 41.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.45 179.736 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.602 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 26.5 mt-10 -128.42 125.29 38.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.059 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.644 HD11 HD12 ' B' ' 86' ' ' LEU . 4.7 mp -132.33 161.13 34.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.787 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.466 HG22 ' N ' ' B' ' 90' ' ' TYR . 13.4 p -150.16 159.54 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.932 0.396 . . . . 0.0 111.254 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 90' ' ' TYR . . . . . 0.535 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 48.9 t80 -109.85 100.72 9.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.05 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.418 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 39.2 ptt180 -167.52 163.29 14.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.774 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.479 ' HA ' ' HD3' ' B' ' 93' ' ' PRO . 87.4 mtt180 -60.61 134.07 91.7 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.455 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 93' ' ' PRO . . . . . 0.554 ' HG3' ' HB2' ' B' ' 37' ' ' ARG . 2.5 Cg_endo -81.59 27.75 0.57 Allowed 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.259 2.639 . . . . 0.0 114.879 -177.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 94' ' ' TRP . . . . . 0.429 ' CZ3' ' HG2' ' B' ' 95' ' ' GLU . 25.7 p-90 -129.88 -13.05 4.17 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.396 0.617 . . . . 0.0 109.488 178.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 95' ' ' GLU . . . . . 0.429 ' HG2' ' CZ3' ' B' ' 94' ' ' TRP . 31.4 mt-10 -69.16 163.71 24.25 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.134 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -105.93 -57.87 1.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.623 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -147.06 97.78 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.56 135.56 17.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.69 130.33 90.41 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' PRO . . . . . 0.418 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 67.6 Cg_endo -85.72 -161.14 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.656 2.237 . . . . 0.0 112.471 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -118.4 -19.93 8.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.535 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 25.4 mt-10 -135.85 -174.42 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.153 0.502 . . . . 0.0 111.494 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.2 p -173.08 154.29 2.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.556 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -157.7 151.38 23.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.773 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 47.9 t -171.86 144.85 1.82 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.852 0.358 . . . . 0.0 111.216 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' B' ' 13' ' ' CYS . 93.5 m -136.3 135.46 38.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.654 ' HB1' ' HG ' ' B' ' 16' ' ' LEU . . . -72.27 129.21 37.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 108' ' ' ILE . . . . . 0.538 HD12 HD23 ' B' ' 86' ' ' LEU . 3.4 mt -138.18 90.82 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.539 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 109' ' ' GLN . . . . . 0.568 ' HB3' ' HB3' ' B' ' 16' ' ' LEU . 28.1 tt0 -120.92 99.79 6.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.219 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.761 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 2.3 t -86.15 161.46 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.012 0.434 . . . . 0.0 111.28 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.721 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 27.2 tpt180 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.729 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.719 ' HA ' HD12 ' B' ' 24' ' ' LEU . 2.5 p . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.705 0.288 . . . . 0.0 111.685 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.775 HG21 ' HA ' ' B' ' 25' ' ' VAL . 90.1 m -154.01 -91.64 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.063 0.459 . . . . 0.0 111.662 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' B' ' 25' ' ' VAL . 1.3 mm? -100.73 -174.72 2.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.861 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.416 ' HA ' ' HB ' ' B' ' 27' ' ' THR . 19.0 t70 -169.7 -27.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.37 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -136.49 -168.14 2.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.62 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.39 14.73 15.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.373 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -118.27 -10.46 10.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -88.1 8.7 25.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.07 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.525 ' HB3' ' HA ' ' B' ' 106' ' ' CYS . 71.6 m -70.56 134.69 47.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.999 0.428 . . . . 0.0 110.889 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 10.8 p -172.52 158.7 3.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.511 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.82 78.73 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.194 1.929 . . . . 0.0 111.861 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 tp -69.42 117.78 11.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.049 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -76.48 131.19 38.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.768 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' B' ' 19' ' ' THR . 31.5 tp 62.71 164.82 0.11 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.852 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.857 HG23 HG11 ' B' ' 78' ' ' VAL . 3.8 t 172.2 -20.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 112.003 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.416 ' HG3' ' CG1' ' B' ' 110' ' ' VAL . 93.7 mt-30 -40.92 114.37 0.47 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.991 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.0 43.39 2.62 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.064 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -143.78 126.89 16.51 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -83.43 -173.43 4.71 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.22 0.533 . . . . 0.0 111.933 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' B' ' 5' ' ' VAL . 0.5 OUTLIER 73.55 -158.11 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.811 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.775 ' HA ' HG21 ' B' ' 6' ' ' THR . 6.2 p 163.04 -45.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.103 0 C-N-CA 122.964 0.506 . . . . 0.0 110.575 -178.165 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.532 HD11 HD21 ' B' ' 86' ' ' LEU . 76.8 mt -151.69 161.44 42.66 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.111 0.482 . . . . 0.0 111.521 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.416 ' HB ' ' HA ' ' B' ' 8' ' ' ASP . 61.6 m -156.67 96.62 1.65 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.718 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.9 mt -144.0 152.83 56.04 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.009 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' B' ' 71' ' ' GLU . 97.8 Cg_endo -87.94 153.69 7.19 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.783 2.322 . . . . 0.0 112.287 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 61.4 p -168.63 161.47 11.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -96.79 104.7 19.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' PRO . . . . . 0.509 ' HA ' ' HD3' ' B' ' 37' ' ' ARG . 72.1 Cg_endo -73.44 151.98 48.53 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.566 2.177 . . . . 0.0 112.501 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 66.7 p 49.87 24.84 1.4 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.592 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 72.5 m -107.66 -38.58 5.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.24 -63.28 0.46 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.404 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -79.09 107.06 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.57 ' HB2' ' HG3' ' B' ' 93' ' ' PRO . 17.4 mmm180 -122.75 -160.93 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.326 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.451 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 96.4 m95 -125.7 123.1 38.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.936 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -101.17 159.35 15.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.749 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.501 HD23 ' HG ' ' B' ' 88' ' ' LEU . 89.0 mt -100.85 104.93 16.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.286 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -80.67 -21.5 41.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.246 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.604 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 8.7 t30 -169.62 84.8 0.61 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.154 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.431 ' HA ' ' CD1' ' B' ' 86' ' ' LEU . 42.0 Cg_endo -65.26 -1.75 4.96 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.704 2.269 . . . . 0.0 113.098 -178.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 54.76 24.71 5.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.959 0.409 . . . . 0.0 110.388 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.14 -13.64 2.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.372 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.1 t -61.35 -27.2 68.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.443 ' HA ' ' HB3' ' B' ' 80' ' ' ALA . 29.1 m -131.17 -7.19 2.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.773 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.619 HD22 HG22 ' B' ' 78' ' ' VAL . 27.0 mt -114.59 137.91 51.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.8 0.333 . . . . 0.0 111.199 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -100.63 144.79 29.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLU . . . . . 0.44 ' HA ' ' HA ' ' B' ' 29' ' ' PRO . 49.0 mt-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.786 0.327 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.1 p -64.62 103.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.39 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 58.2 m -92.15 97.75 11.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.532 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.515 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 85.1 m95 -99.42 112.36 24.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.015 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.451 ' HA ' ' HA ' ' B' ' 24' ' ' LEU . 75.6 mtm180 -134.06 103.94 6.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.8 0.333 . . . . 0.0 111.883 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -107.38 -172.44 2.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.992 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.46 ' HD3' ' O ' ' B' ' 78' ' ' VAL . 2.2 tmt_? -145.17 129.65 17.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.128 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.857 HG11 HG23 ' B' ' 19' ' ' THR . 31.1 t -77.77 144.87 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 111.641 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -156.68 6.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.954 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.488 ' O ' HG21 ' B' ' 110' ' ' VAL . . . -136.08 157.99 45.5 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.498 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 7.9 p -98.61 172.94 7.17 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.446 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.11 167.52 20.55 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.562 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -85.22 160.98 19.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.834 0.349 . . . . 0.0 111.207 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.408 ' OD2' ' HB ' ' B' ' 108' ' ' ILE . 7.3 p-10 -171.51 178.18 3.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.815 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -161.73 99.72 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.532 HD21 HD11 ' B' ' 26' ' ' LEU . 63.8 tp -60.0 141.09 56.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.585 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.604 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 23.5 mt-10 -140.55 133.61 29.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.584 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.595 ' HB2' ' HB3' ' B' ' 104' ' ' PHE . 6.2 mp -138.95 169.75 17.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.372 179.299 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.5 ' HA ' ' HA ' ' B' ' 103' ' ' SER . 14.9 p -149.44 157.91 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.018 0.437 . . . . 0.0 111.042 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 90' ' ' TYR . . . . . 0.453 ' N ' HG22 ' B' ' 89' ' ' VAL . 13.1 t80 -103.82 103.34 13.2 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.033 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.548 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 39.1 ptt180 -170.89 173.14 5.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.468 ' HA ' ' HD3' ' B' ' 93' ' ' PRO . 97.7 mtt180 -68.99 137.14 89.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.477 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 93' ' ' PRO . . . . . 0.57 ' HG3' ' HB2' ' B' ' 37' ' ' ARG . 2.2 Cg_endo -82.25 27.47 0.59 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.317 2.678 . . . . 0.0 114.986 -177.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 94' ' ' TRP . . . . . 0.433 ' CZ3' ' HG2' ' B' ' 95' ' ' GLU . 25.4 p-90 -129.2 -12.48 4.57 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.343 0.592 . . . . 0.0 109.455 179.08 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 95' ' ' GLU . . . . . 0.433 ' HG2' ' CZ3' ' B' ' 94' ' ' TRP . 28.1 mt-10 -70.75 166.7 20.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.091 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -113.46 -41.02 3.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.546 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -167.26 103.12 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.745 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.61 -164.85 1.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.255 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -106.08 93.76 8.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.782 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' PRO . . . . . 0.548 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 50.3 Cg_endo -69.39 168.52 20.83 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.576 2.184 . . . . 0.0 112.33 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.58 -75.03 0.49 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -90.46 -177.35 5.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.388 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' B' ' 89' ' ' VAL . 49.1 m -161.6 -179.63 7.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.576 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.595 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 25.7 t80 -159.81 149.18 17.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 47.9 t -164.03 107.54 0.96 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.152 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 106' ' ' CYS . . . . . 0.525 ' HA ' ' HB3' ' B' ' 13' ' ' CYS . 0.1 OUTLIER -116.32 132.57 56.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.029 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.82 146.97 24.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.468 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' ILE . . . . . 0.408 ' HB ' ' OD2' ' B' ' 84' ' ' ASP . 71.9 mt -146.29 145.07 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -144.95 102.43 3.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.642 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.498 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 3.5 t -68.66 -65.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.787 0.327 . . . . 0.0 111.012 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.014 -179.558 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 6.7 t . . . . . 0 CA--C 1.527 0.087 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -69.52 161.98 28.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.878 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.44 HD13 ' C ' ' B' ' 7' ' ' LEU . 2.5 tm? -162.19 113.41 1.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.183 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -109.3 -15.0 14.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -79.23 -159.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.57 -70.42 0.44 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.402 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -90.76 -8.85 48.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.178 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.7 -9.94 48.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.07 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.493 ' C ' ' HD3' ' B' ' 15' ' ' PRO . 0.7 OUTLIER -62.78 -96.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.242 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.555 ' N ' ' HD3' ' B' ' 15' ' ' PRO . 80.6 p 41.76 47.04 2.12 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.878 -178.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' PRO . . . . . 0.614 ' HD2' ' HB3' ' B' ' 107' ' ' ALA . 92.3 Cg_endo -89.13 -35.01 0.09 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 122.026 1.817 . . . . 0.0 113.072 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.703 ' HG ' ' HB1' ' B' ' 107' ' ' ALA . 4.4 mp 58.77 -89.38 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.542 0.687 . . . . 0.0 110.913 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.404 ' H ' ' HB2' ' B' ' 16' ' ' LEU . 48.9 mttm -38.5 107.27 0.06 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.297 -1.319 . . . . 0.0 111.51 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 16.5 tp -142.65 172.7 12.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.409 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.559 HG23 HH12 ' B' ' 111' ' ' ARG . 24.3 m -154.32 145.76 23.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.933 0.397 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.475 ' HG3' HG12 ' B' ' 78' ' ' VAL . 18.7 mp0 -53.27 143.41 18.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.959 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.426 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 117.44 -10.86 14.42 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.427 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -111.8 152.93 27.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.92 0.39 . . . . 0.0 110.643 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.402 ' HG2' ' HD3' ' B' ' 77' ' ' ARG . 37.7 mt-10 -127.99 -167.79 1.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.912 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.413 HD23 ' N ' ' B' ' 25' ' ' VAL . 8.9 tt -166.21 150.1 7.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.033 0.444 . . . . 0.0 111.413 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.513 HG22 ' HG2' ' B' ' 75' ' ' ARG . 65.3 t -138.47 107.64 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.819 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.427 ' HB2' ' HB2' ' B' ' 74' ' ' TRP . 94.6 mt -77.91 158.58 29.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 59.2 m -153.88 102.88 2.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . 82.0 mt -132.2 138.14 31.63 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 28' ' ' LEU . 23.6 Cg_exo -64.56 150.05 88.88 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.623 2.215 . . . . 0.0 112.282 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.4 ' HB3' ' HE1' ' B' ' 38' ' ' TRP . 88.5 p -164.65 132.91 3.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.694 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -108.06 104.02 52.1 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.019 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' PRO . . . . . 0.502 ' HB3' HH12 ' B' ' 37' ' ' ARG . 35.6 Cg_exo -57.92 -22.0 52.25 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.49 2.127 . . . . 0.0 112.302 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 77.8 p -63.02 -41.91 99.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.249 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 77.9 p -71.78 -63.77 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.242 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.7 -13.13 4.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.253 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -75.82 91.09 2.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.127 0.489 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.502 HH12 ' HB3' ' B' ' 32' ' ' PRO . 3.9 tpt180 -90.96 -146.93 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.248 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.4 ' HE1' ' HB3' ' B' ' 30' ' ' SER . 95.2 m95 -137.2 137.92 39.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.859 0.362 . . . . 0.0 110.937 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.493 ' HG2' HH21 ' B' ' 91' ' ' ARG . 8.9 tp10 -117.88 137.98 52.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.417 HD13 ' HB3' ' B' ' 43' ' ' PRO . 95.7 mt -89.97 108.78 19.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.523 ' NE ' ' HA ' ' B' ' 41' ' ' ARG . 4.0 mmp_? -82.57 -17.13 45.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.512 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.592 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 59.8 t30 -174.58 86.12 0.33 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.659 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.432 ' HA ' ' CD1' ' B' ' 86' ' ' LEU . 60.9 Cg_endo -71.87 0.93 6.38 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.587 2.192 . . . . 0.0 112.631 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.71 22.25 6.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.873 0.368 . . . . 0.0 110.929 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.85 -8.08 2.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.369 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -64.57 -34.41 78.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.25 -36.86 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.722 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.557 HD11 HG21 ' B' ' 108' ' ' ILE . 13.7 mt -86.89 133.46 33.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.8 0.333 . . . . 0.0 110.817 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -87.96 137.05 32.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.981 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.8 0.334 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 54.9 m -121.1 109.14 14.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 58.1 m -114.04 129.6 56.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.427 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 80.5 m95 -125.2 146.59 49.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.513 ' HG2' HG22 ' B' ' 25' ' ' VAL . 93.6 mtt180 -137.18 135.81 37.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.703 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.76 153.96 49.65 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.967 0.413 . . . . 0.0 111.431 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.426 ' NH2' ' HA2' ' B' ' 21' ' ' GLY . 9.9 tpt180 -140.37 136.75 33.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.647 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.548 HG22 HD22 ' B' ' 48' ' ' LEU . 28.5 t -86.21 113.16 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.848 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' B' ' 20' ' ' GLN . . . -111.16 -53.51 2.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.93 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.6 155.75 20.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.912 0.387 . . . . 0.0 111.419 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.45 ' HA ' ' CB ' ' B' ' 110' ' ' VAL . 27.2 p -77.79 -176.85 4.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.35 160.76 11.27 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.579 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -89.29 145.24 25.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.702 0.287 . . . . 0.0 110.8 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -169.42 -174.27 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -167.02 109.62 0.69 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.697 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.477 ' HA ' ' O ' ' B' ' 42' ' ' ASN . 62.0 tp -63.47 146.76 52.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.904 0.383 . . . . 0.0 110.812 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.592 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 3.4 mt-10 -145.07 135.13 23.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.496 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.421 ' HB2' ' HB3' ' B' ' 104' ' ' PHE . 5.4 mp -144.95 118.47 9.1 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 22.1 m -109.03 157.32 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.759 0.314 . . . . 0.0 110.935 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' TYR . . . . . 0.605 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 6.9 t80 -95.45 108.45 20.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.347 -179.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.493 HH21 ' HG2' ' B' ' 39' ' ' GLU . 36.6 ptt180 -173.56 172.69 3.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.337 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.639 ' H ' ' HB2' ' B' ' 96' ' ' LYS . 94.7 mtt180 -54.82 155.3 8.19 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.806 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 93' ' ' PRO . . . . . 0.41 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 80.6 Cg_exo -47.32 -28.05 7.7 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.941 2.428 . . . . 0.0 113.443 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 94' ' ' TRP . . . . . . . . . . . . . 23.0 p90 -108.45 -57.14 2.17 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.782 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' B' ' 95' ' ' GLU . 10.3 pt-20 178.44 123.19 0.05 OUTLIER 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.992 0.425 . . . . 0.0 111.407 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 96' ' ' LYS . . . . . 0.639 ' HB2' ' H ' ' B' ' 92' ' ' ARG . 12.5 tmtt? -103.29 91.26 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 60.09 14.3 4.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.833 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 57.01 17.02 3.14 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.414 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -124.1 96.68 41.84 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.658 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -77.79 145.54 22.86 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.974 2.45 . . . . 0.0 112.542 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.86 -66.46 0.84 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.808 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.605 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 20.9 mt-10 -85.17 -172.52 4.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.763 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 78.8 p -166.37 152.48 8.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.954 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.421 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 39.8 t80 -143.76 143.28 31.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 47.3 t -160.5 102.35 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 10.2 t -109.08 117.61 34.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.703 ' HB1' ' HG ' ' B' ' 16' ' ' LEU . . . -64.16 133.42 52.89 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 108' ' ' ILE . . . . . 0.557 HG21 HD11 ' B' ' 48' ' ' LEU . 59.5 mt -146.0 111.97 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.997 0.427 . . . . 0.0 111.656 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -139.85 104.56 4.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.315 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.462 HG13 ' HA ' ' B' ' 19' ' ' THR . 20.4 t -63.25 -82.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.175 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.559 HH12 HG23 ' B' ' 19' ' ' THR . 6.7 mpt_? . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.314 -0.85 . . . . 0.0 110.971 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.233 0.209 0 CA-C-O 121.007 0.432 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.429 HG22 ' N ' ' B' ' 7' ' ' LEU . 3.3 m -100.09 164.04 12.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.125 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.429 ' N ' HG22 ' B' ' 6' ' ' THR . 83.4 mt -138.27 145.88 41.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -138.21 -9.54 1.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -130.91 146.96 52.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.062 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.76 -43.83 24.69 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.055 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.6 -24.24 67.02 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.775 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -70.06 -19.8 63.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 60.7 m -69.19 155.72 39.92 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.051 0.453 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.457 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 14.3 m -153.55 159.27 32.32 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.355 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' PRO . . . . . 0.457 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 13.8 Cg_endo -56.67 89.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.177 1.918 . . . . 0.0 111.628 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 22.6 tp -41.2 99.62 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.302 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.548 ' HD3' ' H ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -76.14 98.86 4.5 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.283 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.484 ' H ' ' HA ' ' B' ' 110' ' ' VAL . 27.7 tp 63.23 162.69 0.1 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.663 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.555 HG23 ' H ' ' B' ' 20' ' ' GLN . 0.0 OUTLIER -174.53 -89.23 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.62 -179.789 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.555 ' H ' HG23 ' B' ' 19' ' ' THR . 23.8 mt-30 47.81 88.99 0.02 OUTLIER 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.096 0.474 . . . . 0.0 111.065 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.08 2.35 18.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.073 -0.584 . . . . 0.0 111.946 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.482 HE21 ' HB3' ' B' ' 22' ' ' GLN . 4.8 mt-30 -104.5 133.57 49.14 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.793 0.33 . . . . 0.0 110.464 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.46 ' HG2' HH11 ' B' ' 77' ' ' ARG . 0.0 OUTLIER -98.6 -177.99 3.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.476 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 39.0 tp -162.26 112.57 1.53 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.716 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 54.2 t -110.74 95.59 3.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.459 ' HB2' ' HB2' ' B' ' 74' ' ' TRP . 94.3 mt -73.27 156.04 38.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.049 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 68.7 m -154.07 110.28 3.28 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.413 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . 80.7 mt -132.37 137.08 29.14 Favored Pre-proline 0 C--O 1.234 0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 28' ' ' LEU . 25.8 Cg_exo -62.83 122.81 11.26 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.582 2.188 . . . . 0.0 112.344 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 45.9 t -169.19 117.34 0.64 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.759 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -84.09 123.41 75.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -74.36 -1.33 10.85 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.49 2.126 . . . . 0.0 112.413 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 71.0 p -88.83 -7.6 55.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.229 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 69.1 p -90.39 -58.7 2.4 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.0 -42.85 1.07 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.286 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -71.92 100.67 2.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.074 0.464 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -100.65 -160.87 0.82 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.993 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -115.6 106.08 13.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.971 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -87.57 140.64 29.32 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.507 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 97.2 mt -90.08 100.59 13.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.333 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.481 ' HB2' ' HB3' ' B' ' 87' ' ' GLU . 14.2 mmm180 -72.54 -25.12 61.26 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.188 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.49 ' HB3' ' HB2' ' B' ' 87' ' ' GLU . 63.5 t30 -172.73 89.95 0.4 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.493 ' HG3' HH21 ' B' ' 50' ' ' ARG . 56.2 Cg_endo -69.16 8.2 0.68 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.647 2.231 . . . . 0.0 112.79 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.407 ' HA ' ' OD1' ' B' ' 84' ' ' ASP . . . 54.41 23.69 4.65 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.848 0.356 . . . . 0.0 110.787 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.67 -14.68 3.46 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.423 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 83.1 p -60.54 -29.63 69.26 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.2 m -123.39 -31.16 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.505 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.564 HD22 HG22 ' B' ' 78' ' ' VAL . 12.2 mt -92.58 168.91 10.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.68 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -131.03 148.57 52.76 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.493 HH21 ' HG3' ' B' ' 43' ' ' PRO . 99.0 mtt180 . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.817 0.342 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 46.6 t -69.66 114.51 7.93 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 74.4 m -114.57 118.53 33.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.974 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.459 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 84.2 m95 -108.91 115.74 30.67 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.813 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -106.71 126.0 51.73 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -133.28 157.04 46.46 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.11 0.481 . . . . 0.0 111.138 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.46 HH11 ' HG2' ' B' ' 23' ' ' GLU . 9.9 tpt180 -145.23 124.78 13.19 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.318 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.564 HG22 HD22 ' B' ' 48' ' ' LEU . 61.3 t -66.36 143.85 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.196 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -131.21 -36.53 1.3 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.374 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -141.61 156.69 45.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.936 0.398 . . . . 0.0 111.381 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 43.0 p -72.97 -167.31 0.37 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.061 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 121.42 160.72 11.12 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.426 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -102.46 116.46 32.67 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.407 ' OD1' ' HA ' ' B' ' 44' ' ' ALA . 3.7 t70 -143.94 -170.27 3.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.445 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -155.87 116.92 3.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.095 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.511 HD22 HD11 ' B' ' 88' ' ' LEU . 4.1 mt -65.18 141.22 58.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.438 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.49 ' HB2' ' HB3' ' B' ' 42' ' ' ASN . 45.2 mm-40 -140.52 111.67 7.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.511 HD11 HD22 ' B' ' 86' ' ' LEU . 5.3 mp -127.44 122.49 33.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.348 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.463 HG22 ' N ' ' B' ' 90' ' ' TYR . 14.8 p -111.23 158.2 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.176 0.512 . . . . 0.0 111.207 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 90' ' ' TYR . . . . . 0.504 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 72.5 t80 -108.4 100.74 9.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.688 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.405 ' HB3' ' HA ' ' B' ' 100' ' ' PRO . 33.5 ptt180 -164.52 -169.34 1.73 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.052 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.416 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 97.7 mtt180 -79.55 111.49 21.41 Favored Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.586 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.8 -13.15 19.9 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.673 2.249 . . . . 0.0 113.623 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' TRP . . . . . 0.416 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 7.9 p90 -82.03 7.45 13.23 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.197 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -114.31 162.28 16.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.784 0.326 . . . . 0.0 110.977 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -84.9 -38.96 18.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.689 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -167.33 107.67 0.6 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.859 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.82 178.9 6.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.457 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 40.8 mt-10 -75.74 115.68 48.28 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.092 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 100' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' B' ' 99' ' ' GLU . 6.1 Cg_exo -79.31 159.85 26.14 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.989 2.46 . . . . 0.0 112.387 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -98.81 -68.34 0.81 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.3 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.504 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 5.5 mm-40 -100.79 -162.3 0.93 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.326 0.584 . . . . 0.0 111.805 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.3 p -168.87 157.06 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.799 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -163.41 103.5 0.95 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.682 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 28.7 m -122.34 152.28 40.3 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.096 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 63.6 m -144.98 140.29 28.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.586 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.24 148.48 27.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.448 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' ILE . . . . . 0.466 HD13 HD11 ' B' ' 48' ' ' LEU . 74.4 mt -143.19 125.93 12.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.915 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -144.58 86.54 1.82 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.771 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.484 ' HA ' ' H ' ' B' ' 18' ' ' LEU . 17.9 t -72.02 -55.56 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.128 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.462 ' HE ' HD13 ' B' ' 18' ' ' LEU . 36.0 mmt180 . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.906 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 120.875 0.369 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.423 HG23 HG23 ' B' ' 25' ' ' VAL . 2.8 m -85.67 163.26 18.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.844 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 60.9 tp -150.56 142.92 24.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -143.64 0.77 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -116.65 177.56 4.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.22 -19.8 1.46 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.149 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -88.97 -26.18 21.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.776 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -81.74 2.97 27.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 18.9 m -77.03 144.95 38.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.055 0.455 . . . . 0.0 111.39 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.436 ' O ' ' N ' ' B' ' 16' ' ' LEU . 20.0 m -158.6 160.68 29.32 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.169 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.95 83.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.316 2.011 . . . . 0.0 111.908 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' B' ' 14' ' ' SER . 10.9 mt -66.58 172.4 4.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.802 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.519 ' HD2' ' N ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -121.33 72.47 1.0 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.61 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mp -73.68 -172.24 1.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.226 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 27.2 m -156.76 151.22 25.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.519 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -56.3 97.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.437 ' HA2' HH21 ' B' ' 77' ' ' ARG . . . 139.42 2.44 1.77 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.638 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -104.75 135.47 46.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.786 0.327 . . . . 0.0 110.703 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.406 ' HG2' ' NH1' ' B' ' 77' ' ' ARG . 0.1 OUTLIER -96.64 -175.68 3.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.361 179.461 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 tt -157.13 118.09 3.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.903 0.382 . . . . 0.0 110.795 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.423 HG23 HG23 ' B' ' 6' ' ' THR . 19.9 m -106.3 148.76 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.221 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -153.5 147.24 25.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.2 m -151.73 132.91 14.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.232 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.419 ' HB3' ' HD2' ' B' ' 29' ' ' PRO . 5.5 mp -133.38 161.47 63.56 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.961 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' B' ' 28' ' ' LEU . 94.7 Cg_endo -82.48 125.22 4.37 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.531 2.154 . . . . 0.0 112.441 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.412 ' HB3' ' HE1' ' B' ' 38' ' ' TRP . 80.6 p -164.28 168.48 18.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.803 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -131.45 122.3 18.84 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.22 -0.82 10.11 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.426 2.084 . . . . 0.0 112.453 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 56.4 m -90.32 -33.35 16.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.066 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 69.6 p -66.23 -63.55 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.207 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.47 -28.57 2.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.384 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -81.02 98.76 8.11 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 111.047 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.409 ' HB2' ' HD3' ' B' ' 93' ' ' PRO . 18.1 mmm180 -101.05 -157.49 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.412 ' HE1' ' HB3' ' B' ' 30' ' ' SER . 88.3 m95 -127.15 136.56 52.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.732 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -117.32 154.86 30.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.956 0.407 . . . . 0.0 111.24 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.587 HD23 ' HG ' ' B' ' 88' ' ' LEU . 15.8 mt -102.87 98.74 8.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.201 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.465 HH11 HH22 ' B' ' 91' ' ' ARG . 31.9 mmm180 -72.53 -21.99 61.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.596 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.597 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 62.3 t30 -163.37 85.48 1.33 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.59 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.481 ' HB3' HD13 ' B' ' 40' ' ' LEU . 96.8 Cg_endo -77.9 32.24 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.82 2.346 . . . . 0.0 112.588 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.698 ' HB1' HD13 ' B' ' 48' ' ' LEU . . . 57.42 24.66 10.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.859 0.361 . . . . 0.0 110.971 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.72 -11.8 2.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.174 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -62.57 -47.75 82.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.969 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.881 HG23 HD12 ' B' ' 48' ' ' LEU . 8.3 m -128.34 -36.47 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.281 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.881 HD12 HG23 ' B' ' 47' ' ' VAL . 10.7 mp -71.78 -176.34 1.63 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.863 0.364 . . . . 0.0 110.551 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -142.97 150.14 39.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.857 0.361 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 50.7 m -98.42 114.39 26.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 74.3 m -121.5 101.8 7.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -90.38 134.52 34.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.193 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -132.36 121.41 23.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.708 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -123.28 167.31 13.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.097 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.437 HH21 ' HA2' ' B' ' 21' ' ' GLY . 8.7 tpt180 -150.38 123.31 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.523 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.661 HG22 ' HG ' ' B' ' 48' ' ' LEU . 38.5 t -65.58 151.94 9.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.04 -3.82 0.75 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.407 ' O ' HG21 ' B' ' 110' ' ' VAL . . . -160.97 156.34 24.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 111.608 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.617 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 20.5 p -82.45 167.91 17.98 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.752 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.64 176.3 14.41 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.402 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -93.85 123.98 37.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.773 0.321 . . . . 0.0 111.042 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -139.5 -178.99 5.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.471 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -165.58 126.56 1.9 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.895 0.378 . . . . 0.0 111.229 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.604 HD23 HD12 ' B' ' 108' ' ' ILE . 1.8 mm? -75.73 113.04 12.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.754 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.597 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 27.4 mt-10 -111.13 113.3 25.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.007 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.594 HD11 HD12 ' B' ' 86' ' ' LEU . 6.1 mp -125.13 147.54 48.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.689 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 30.6 m -135.42 161.34 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.054 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' TYR . . . . . 0.537 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 17.3 t80 -102.82 101.71 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.205 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.465 HH22 HH11 ' B' ' 41' ' ' ARG . 39.4 ptt180 -160.97 167.14 27.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.605 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.436 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 77.1 mtt180 -57.44 145.66 67.19 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.489 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 93' ' ' PRO . . . . . 0.409 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 83.3 Cg_endo -77.96 -26.8 6.31 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.69 2.26 . . . . 0.0 113.838 -178.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 94' ' ' TRP . . . . . 0.436 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 19.1 p90 -90.14 7.74 36.41 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.582 -179.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -109.14 114.26 27.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.944 0.402 . . . . 0.0 110.824 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' LYS . . . . . 0.459 ' HB3' ' NZ ' ' B' ' 96' ' ' LYS . 3.0 mmmp? -80.27 -16.39 54.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -148.7 94.66 2.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.96 135.26 15.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.893 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -60.62 112.96 6.41 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -78.68 151.52 25.13 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.588 2.192 . . . . 0.0 112.605 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.436 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -79.85 -65.63 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.786 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.537 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 19.0 mt-10 -85.9 -172.54 4.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.768 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.0 p -164.21 155.27 15.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.479 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 60.0 t80 -147.91 146.87 29.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.076 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 46.8 t -163.58 113.19 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.616 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 6.2 t -121.33 118.08 28.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.098 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.82 135.29 53.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' ILE . . . . . 0.604 HD12 HD23 ' B' ' 86' ' ' LEU . 86.6 mt -144.31 114.4 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.511 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 109' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' B' ' 17' ' ' LYS . 25.5 mt-30 -118.87 112.62 19.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.57 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.617 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 39.5 t -65.57 -86.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.905 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.503 ' HB3' ' HB2' ' B' ' 81' ' ' SER . 25.2 tpt180 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.76 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 121.039 0.447 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.3 m -72.07 163.1 28.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.566 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.497 HD21 ' SG ' ' B' ' 13' ' ' CYS . 61.1 tp -150.78 144.77 25.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.657 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -143.42 -45.49 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.01 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ASP . . . . . 0.415 ' HB2' ' HB2' ' B' ' 12' ' ' ASP . 10.1 m-20 -62.95 170.84 2.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.995 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.98 -45.58 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -74.0 -25.59 59.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.415 ' HB2' ' HB2' ' B' ' 9' ' ' ASP . 7.2 m-20 -78.83 -2.48 39.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.497 ' SG ' HD21 ' B' ' 7' ' ' LEU . 75.3 m -74.28 -87.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.522 ' O ' ' N ' ' B' ' 16' ' ' LEU . 50.6 m 64.47 165.04 0.12 Allowed Pre-proline 0 C--N 1.333 -0.134 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 51.7 Cg_exo -53.1 78.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.393 2.062 . . . . 0.0 112.148 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' B' ' 14' ' ' SER . 54.4 tp -74.63 129.36 37.59 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.221 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -83.22 108.75 16.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.851 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.531 ' HB3' HG21 ' B' ' 78' ' ' VAL . 10.9 mp -99.8 -175.51 2.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.5 m -159.89 149.92 18.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.63 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -55.79 104.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 134.91 5.89 2.36 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.481 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -110.6 132.03 54.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.835 0.35 . . . . 0.0 110.72 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -109.9 171.03 7.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.091 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.47 HD23 ' N ' ' B' ' 25' ' ' VAL . 8.0 tt -161.61 144.23 12.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.989 0.423 . . . . 0.0 111.599 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.47 ' N ' HD23 ' B' ' 24' ' ' LEU . 93.9 t -136.52 108.1 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.46 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.505 HD23 HD21 ' B' ' 28' ' ' LEU . 37.6 tp -78.31 146.65 34.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.363 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.6 m -106.05 109.44 21.38 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.942 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.678 ' N ' ' HD2' ' B' ' 29' ' ' PRO . 3.1 mm? -106.65 -19.38 0.17 Allowed Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.678 ' HD2' ' N ' ' B' ' 28' ' ' LEU . 42.7 Cg_exo -32.05 104.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 122.475 2.117 . . . . 0.0 113.127 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.412 ' HB2' ' HE1' ' B' ' 38' ' ' TRP . 22.8 t -113.68 -74.48 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.886 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ASN . . . . . 0.524 HD22 HG21 ' B' ' 34' ' ' THR . 2.1 p-10 -168.96 87.67 0.63 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' PRO . . . . . 0.454 ' O ' HG23 ' B' ' 34' ' ' THR . 23.6 Cg_exo -64.24 -172.68 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.597 2.198 . . . . 0.0 112.34 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 37.8 p 53.94 21.3 2.77 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.652 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.524 HG21 HD22 ' B' ' 31' ' ' ASN . 61.1 p -115.86 -61.82 1.68 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.929 0.395 . . . . 0.0 111.066 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.05 -37.3 1.34 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.395 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -87.43 105.2 17.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.952 0.406 . . . . 0.0 111.16 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -115.09 -167.53 1.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.921 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.412 ' HE1' ' HB2' ' B' ' 30' ' ' SER . 92.6 m95 -110.06 101.5 10.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.997 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -81.66 135.9 35.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.647 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 tt -87.6 111.23 21.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.893 0.378 . . . . 0.0 110.77 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -79.5 -62.04 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.146 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.428 ' HB3' ' HB2' ' B' ' 87' ' ' GLU . 57.4 t30 -125.58 102.53 29.27 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.995 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -80.21 4.06 7.12 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.554 2.169 . . . . 0.0 112.854 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.459 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 54.64 27.37 8.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.59 -11.85 2.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.564 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.7 t -61.22 -30.11 70.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.291 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 26.4 m -131.91 -15.36 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.681 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.459 HD12 ' HB3' ' B' ' 44' ' ' ALA . 78.8 mt -106.84 142.53 36.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 0.0 111.319 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.403 ' CG ' ' H ' ' B' ' 50' ' ' ARG . 0.3 OUTLIER -125.35 -150.45 0.45 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.167 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.403 ' H ' ' CG ' ' B' ' 49' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.941 0.401 . . . . 0.0 111.02 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLU . . . . . 0.44 ' HG2' ' HB3' ' B' ' 29' ' ' PRO . 2.3 mp0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.905 0.383 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' SER . . . . . 0.414 ' HB2' ' HB2' ' B' ' 28' ' ' LEU . 70.0 m -128.49 131.74 48.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.59 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 62.5 m -138.8 136.91 36.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.283 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -129.04 127.29 41.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.829 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -123.69 140.63 52.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.772 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.407 ' HE1' HD22 ' B' ' 24' ' ' LEU . 0.0 OUTLIER -150.8 171.81 16.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.95 0.405 . . . . 0.0 110.942 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' B' ' 78' ' ' VAL . 3.4 tmm_? -154.87 135.96 13.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.349 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' B' ' 18' ' ' LEU . 46.6 t -55.95 111.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.245 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.69 -23.03 12.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.414 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.423 ' O ' HG21 ' B' ' 110' ' ' VAL . . . -160.88 155.82 24.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.168 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.531 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 55.4 p -64.13 -175.57 0.16 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.019 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.62 159.91 11.28 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.606 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -105.87 126.13 51.81 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.724 0.297 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -144.79 -171.4 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' ARG . . . . . 0.423 ' HG3' ' HA ' ' B' ' 107' ' ' ALA . 79.3 ttt180 -162.19 126.31 3.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.952 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.585 ' HG ' HD12 ' B' ' 108' ' ' ILE . 14.0 mt -72.62 143.03 48.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 110.875 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.428 ' HB2' ' HB3' ' B' ' 42' ' ' ASN . 69.1 mm-40 -139.0 111.42 7.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.3 mp -127.48 122.18 32.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 110.737 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.453 HG22 ' N ' ' B' ' 90' ' ' TYR . 11.3 p -104.86 160.37 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.175 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 90' ' ' TYR . . . . . 0.453 ' N ' HG22 ' B' ' 89' ' ' VAL . 58.5 t80 -108.68 104.53 13.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.084 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.544 ' HD3' ' HB3' ' B' ' 100' ' ' PRO . 38.1 ptt180 -175.69 159.55 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.665 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.537 ' HB3' ' NE1' ' B' ' 94' ' ' TRP . 91.3 mtt180 -51.78 108.87 1.17 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.085 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -79.15 35.4 0.56 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.784 2.323 . . . . 0.0 114.603 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' TRP . . . . . 0.537 ' NE1' ' HB3' ' B' ' 92' ' ' ARG . 25.9 p-90 -131.55 -11.41 3.52 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 95' ' ' GLU . . . . . 0.475 ' HG2' ' CZ3' ' B' ' 94' ' ' TRP . 32.5 mt-10 -72.13 -173.05 0.98 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.094 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -110.02 -41.11 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.502 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -172.66 93.31 0.12 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.654 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -126.56 165.82 18.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.108 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -81.11 116.85 65.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 100' ' ' PRO . . . . . 0.544 ' HB3' ' HD3' ' B' ' 91' ' ' ARG . 94.7 Cg_endo -78.39 170.25 18.76 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.66 2.24 . . . . 0.0 112.497 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.45 -54.79 2.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.963 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -107.12 -176.53 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.087 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 37.1 m -161.78 172.76 15.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.754 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -165.67 145.65 6.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.691 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 93.0 p -170.43 137.87 1.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.103 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 96.9 m -145.65 136.56 24.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.035 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.423 ' HA ' ' HG3' ' B' ' 85' ' ' ARG . . . -73.03 139.33 46.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.269 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 108' ' ' ILE . . . . . 0.585 HD12 ' HG ' ' B' ' 86' ' ' LEU . 83.0 mt -142.94 112.82 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -133.08 124.82 28.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.586 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.531 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 43.6 t -66.01 -85.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.144 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.829 179.882 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.483 ' O ' HG13 ' B' ' 5' ' ' VAL . 7.7 p . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 121.267 0.556 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.551 HG23 HG23 ' B' ' 25' ' ' VAL . 1.9 m -66.07 162.04 20.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.095 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.615 ' HB2' HD11 ' B' ' 24' ' ' LEU . 63.8 tp -134.96 146.46 49.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.973 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -157.38 11.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.757 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -125.26 -175.28 3.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.702 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.73 6.68 9.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -122.82 -28.57 4.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -84.23 13.31 5.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.461 ' HB3' ' HB3' ' B' ' 106' ' ' CYS . 10.9 m -76.68 0.53 20.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.044 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.553 ' O ' ' HA ' ' B' ' 108' ' ' ILE . 50.6 m 65.62 68.33 0.69 Allowed Pre-proline 0 N--CA 1.453 -0.305 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' PRO . . . . . 0.464 ' HA ' ' C ' ' B' ' 107' ' ' ALA . 50.2 Cg_endo -69.48 32.44 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.059 2.506 . . . . 0.0 112.805 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.59 ' HA ' ' HB2' ' B' ' 109' ' ' GLN . 2.8 pp -174.38 -154.02 0.05 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.509 ' HA ' ' O ' ' B' ' 109' ' ' GLN . 11.4 mtpp -33.43 104.75 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.805 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.484 ' HB3' HG22 ' B' ' 110' ' ' VAL . 13.6 tp -104.07 176.86 5.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.783 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.414 ' H ' ' HG ' ' B' ' 18' ' ' LEU . 71.8 p -119.6 112.98 20.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.943 0.401 . . . . 0.0 111.643 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.455 ' HA ' ' HB ' ' B' ' 78' ' ' VAL . 23.8 mt-30 -58.13 124.26 18.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.555 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.73 -13.94 9.22 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.217 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -83.69 132.84 34.84 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.345 0.593 . . . . 0.0 110.753 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -98.31 169.29 9.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.204 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' B' ' 7' ' ' LEU . 8.3 tt -158.82 152.42 23.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.114 0.483 . . . . 0.0 111.851 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.551 HG23 HG23 ' B' ' 6' ' ' THR . 3.2 m -143.42 145.49 22.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.647 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 60.0 tp -141.4 137.81 32.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.933 0.397 . . . . 0.0 111.011 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 86.6 m -132.36 126.89 34.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.991 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 85.6 mt -134.85 149.68 71.26 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.734 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -73.06 145.93 40.47 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.505 2.137 . . . . 0.0 112.139 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 85.2 p -154.39 -24.35 0.13 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 61.58 103.32 0.03 OUTLIER Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.704 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' PRO . . . . . 0.412 ' HA ' ' NH2' ' B' ' 37' ' ' ARG . 52.1 Cg_exo -53.06 145.06 43.77 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.436 2.091 . . . . 0.0 112.514 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 33.8 m 56.98 81.29 0.14 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.387 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 26.1 p -147.11 -61.22 0.28 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.129 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.12 -46.76 0.63 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.159 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' B' ' 91' ' ' ARG . 6.6 m-85 -94.89 106.82 18.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.439 ' HB2' ' HD3' ' B' ' 93' ' ' PRO . 23.5 mmt180 -104.93 -158.32 0.66 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.928 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.434 ' CZ3' ' HB2' ' B' ' 90' ' ' TYR . 86.1 m95 -122.41 109.83 14.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.445 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -92.13 122.88 35.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.071 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.21 100.01 12.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.437 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' B' ' 41' ' ' ARG . 4.3 mmp_? -69.94 -63.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.211 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.569 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 50.4 t-20 -111.98 97.22 37.39 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.023 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -78.46 -0.48 10.75 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.507 2.138 . . . . 0.0 112.444 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.03 22.33 5.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.1 -8.9 3.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.223 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.0 t -69.3 -29.74 67.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.477 HG23 ' HG ' ' B' ' 48' ' ' LEU . 35.1 m -130.85 -43.53 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.526 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.515 HD22 HG22 ' B' ' 78' ' ' VAL . 18.2 mt -84.86 114.8 22.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.579 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -73.99 137.03 43.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.277 -179.616 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.872 0.367 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 80.5 p -73.11 125.42 27.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.715 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 56.7 m -128.31 142.15 51.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 16.6 m-90 -125.76 154.24 42.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.785 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -150.16 131.74 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.472 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -138.54 164.91 28.23 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.114 0.483 . . . . 0.0 111.722 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -147.54 128.2 14.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.325 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.515 HG22 HD22 ' B' ' 48' ' ' LEU . 6.5 t -78.74 120.34 29.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.481 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.56 -43.61 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.45 177.82 7.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.096 0.475 . . . . 0.0 111.76 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.715 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 10.3 p -82.76 -168.88 2.21 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.006 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 117.4 154.94 10.04 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.363 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.94 120.65 30.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -139.43 172.29 13.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -160.06 104.5 1.51 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.414 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.456 ' HG ' HD11 ' B' ' 88' ' ' LEU . 8.1 tp -61.12 136.72 58.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.684 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.569 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 16.6 mt-10 -136.57 120.46 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.203 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.456 HD11 ' HG ' ' B' ' 86' ' ' LEU . 4.5 mp -135.78 151.92 50.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.659 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 23.7 m -143.55 166.45 13.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.098 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' TYR . . . . . 0.606 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 56.6 t80 -117.36 102.48 9.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.426 ' HA ' ' CD2' ' B' ' 36' ' ' PHE . 38.1 ptt180 -166.57 177.98 6.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.726 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.493 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 72.3 mtt180 -53.85 121.55 29.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.407 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 93' ' ' PRO . . . . . 0.439 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 73.5 Cg_endo -72.78 5.94 2.68 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.65 2.233 . . . . 0.0 113.588 -178.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 94' ' ' TRP . . . . . 0.493 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 18.5 p90 -114.19 12.97 17.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.917 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -110.14 155.73 21.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.026 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -94.96 -53.92 3.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.567 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -140.0 101.14 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.421 ' H ' ' NH1' ' B' ' 91' ' ' ARG . . . -133.11 -170.86 2.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -104.03 97.26 10.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.37 136.77 27.02 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.414 2.076 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.0 -44.74 95.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.046 0.451 . . . . 0.0 110.986 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.606 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 17.9 mt-10 -109.24 -173.04 2.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.595 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.0 p -173.14 154.07 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.717 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -155.51 110.34 2.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 91.9 p -120.59 148.55 43.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 106' ' ' CYS . . . . . 0.461 ' HB3' ' HB3' ' B' ' 13' ' ' CYS . 53.3 m -151.81 133.08 14.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.124 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.514 ' O ' HG13 ' B' ' 108' ' ' ILE . . . -98.73 151.44 20.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 108' ' ' ILE . . . . . 0.553 ' HA ' ' O ' ' B' ' 14' ' ' SER . 96.3 mt -157.86 111.68 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.494 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 109' ' ' GLN . . . . . 0.59 ' HB2' ' HA ' ' B' ' 16' ' ' LEU . 88.9 mt-30 -112.96 103.8 11.77 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.217 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.715 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 3.3 t -90.49 148.36 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.082 0.467 . . . . 0.0 111.486 -179.352 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.6 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 25.0 tpt180 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.816 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' B' ' 24' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.54 171.01 8.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.056 0.455 . . . . 0.0 112.15 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.405 ' HB2' HD13 ' B' ' 26' ' ' LEU . 74.5 mt -147.78 -177.23 5.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.635 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -178.3 -24.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.034 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -120.92 126.89 51.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.55 -36.9 83.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.21 -32.24 73.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.779 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -76.92 -9.16 58.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 91.1 m -84.46 139.14 32.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.024 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.57 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 13.5 m -156.09 164.1 22.54 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.055 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' PRO . . . . . 0.57 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 15.7 Cg_endo -58.07 80.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.113 1.875 . . . . 0.0 111.44 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' B' ' 14' ' ' SER . 57.3 tp -81.3 142.21 33.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.966 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' B' ' 109' ' ' GLN . 23.5 mtpp -83.55 99.35 10.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.342 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.427 HD12 HG21 ' B' ' 78' ' ' VAL . 0.5 OUTLIER -86.51 -169.02 2.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.602 -179.303 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.45 HG23 ' HE ' ' B' ' 111' ' ' ARG . 0.2 OUTLIER -168.29 139.04 2.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.682 -179.847 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -56.24 118.07 4.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.778 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.426 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 136.27 -17.41 3.8 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.198 -179.484 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.491 ' O ' ' HD2' ' B' ' 77' ' ' ARG . 67.8 mt-30 -96.29 165.73 12.07 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 120.944 0.402 . . . . 0.0 110.104 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -122.55 -175.51 3.16 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.181 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 4.1 tt -162.8 99.84 1.0 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.651 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.585 HG13 ' HG2' ' B' ' 75' ' ' ARG . 95.7 t -113.93 98.02 6.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.532 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.405 HD13 ' HB2' ' B' ' 7' ' ' LEU . 14.1 tp -90.49 159.3 16.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.04 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.418 ' C ' HD22 ' B' ' 28' ' ' LEU . 82.1 m -153.16 118.47 5.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.422 HD22 ' N ' ' B' ' 28' ' ' LEU . 3.7 mm? -115.04 150.22 43.86 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -83.17 118.56 2.66 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.639 2.226 . . . . 0.0 112.257 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.413 ' HB3' ' HE1' ' B' ' 38' ' ' TRP . 80.1 p -153.09 117.03 4.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.955 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ASN . . . . . 0.429 ' HB2' HG23 ' B' ' 34' ' ' THR . 2.4 m-20 -70.5 130.45 89.06 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.677 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -77.15 9.28 2.84 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.773 2.316 . . . . 0.0 112.61 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 75.8 p -113.59 10.19 18.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.251 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.429 HG23 ' HB2' ' B' ' 31' ' ' ASN . 41.7 p -96.8 -72.65 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.329 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.64 -27.05 2.23 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.908 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' PHE . . . . . 0.42 ' HE1' ' HE ' ' B' ' 92' ' ' ARG . 5.8 m-85 -93.42 101.45 13.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.108 0.48 . . . . 0.0 110.999 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.407 ' HB2' ' HD3' ' B' ' 93' ' ' PRO . 6.9 mpt_? -94.76 -155.5 0.47 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.703 179.31 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.413 ' HE1' ' HB3' ' B' ' 30' ' ' SER . 93.3 m95 -124.49 125.34 44.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -104.59 160.94 14.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.262 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.573 HD23 ' HG ' ' B' ' 88' ' ' LEU . 20.0 mt -113.21 109.65 19.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.207 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.502 HH11 HH22 ' B' ' 91' ' ' ARG . 21.9 mmm180 -85.33 -13.65 48.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.074 0.464 . . . . 0.0 110.198 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.585 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 53.3 t-20 -163.47 88.27 1.23 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.23 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -73.14 6.09 2.75 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.582 2.188 . . . . 0.0 112.814 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.408 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 57.53 27.69 14.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.981 0.419 . . . . 0.0 110.989 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.72 -4.09 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.397 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 53.0 m -76.79 -33.27 58.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.181 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 18.7 m -130.46 -40.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.761 0.315 . . . . 0.0 111.517 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.408 HD12 ' HB3' ' B' ' 44' ' ' ALA . 38.3 mt -77.13 155.96 31.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.06 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.411 ' CG ' ' H ' ' B' ' 50' ' ' ARG . 0.3 OUTLIER -133.87 -161.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.453 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.574 ' HB2' ' HB3' ' B' ' 77' ' ' ARG . 6.5 tpm_? . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 121.054 0.455 . . . . 0.0 110.601 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.754 0.311 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 54.3 m -63.77 151.32 42.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 61.4 m -136.48 130.4 32.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.167 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.418 ' O ' ' HA ' ' B' ' 25' ' ' VAL . 73.4 m95 -127.33 129.51 47.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.621 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.585 ' HG2' HG13 ' B' ' 25' ' ' VAL . 96.4 mtt180 -135.85 132.98 37.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.529 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 6.2 m-85 -147.11 168.18 22.26 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.513 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.574 ' HB3' ' HB2' ' B' ' 50' ' ' ARG . 9.4 tpt180 -145.98 133.41 20.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.471 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.427 HG21 HD12 ' B' ' 18' ' ' LEU . 24.5 t -68.51 110.36 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.887 0.375 . . . . 0.0 110.736 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.34 -47.91 4.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.579 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.58 157.9 44.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.192 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.622 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 51.8 p -71.25 -170.74 0.51 Allowed 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.38 163.81 12.27 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.586 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ASP . . . . . 0.516 ' HB3' HE21 ' B' ' 109' ' ' GLN . 3.2 p-10 -98.93 110.03 22.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 110.94 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -123.65 -176.79 3.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.723 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -159.82 113.23 2.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.725 HD12 HD11 ' B' ' 88' ' ' LEU . 0.5 OUTLIER -66.76 137.13 56.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.647 179.714 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.585 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 27.6 mt-10 -135.55 120.8 19.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.986 0.422 . . . . 0.0 111.214 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.725 HD11 HD12 ' B' ' 86' ' ' LEU . 4.2 mp -133.98 152.28 51.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.314 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' B' ' 103' ' ' SER . 19.1 m -140.87 163.15 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 111.124 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -106.81 101.98 11.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.184 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.502 HH22 HH11 ' B' ' 41' ' ' ARG . 39.3 ptt180 -164.84 172.12 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.649 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.513 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 72.6 mtt180 -58.82 138.85 86.88 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.438 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 93' ' ' PRO . . . . . 0.407 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 89.6 Cg_endo -79.23 -15.12 12.93 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.546 2.164 . . . . 0.0 113.277 -178.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 94' ' ' TRP . . . . . 0.513 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 6.4 p90 -94.2 9.42 38.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.671 0.272 . . . . 0.0 111.307 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -112.27 116.29 30.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.948 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -69.72 -38.65 76.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -140.42 101.87 4.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.793 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.63 135.26 16.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.41 110.33 2.28 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.797 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 100' ' ' PRO . . . . . 0.408 ' HB3' ' HD3' ' B' ' 91' ' ' ARG . 78.1 Cg_endo -78.32 152.56 27.1 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.338 2.025 . . . . 0.0 112.37 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.64 -69.38 0.52 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.681 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -90.6 -165.25 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.012 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 103' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' B' ' 89' ' ' VAL . 43.3 t -171.23 165.95 7.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.961 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -168.93 106.47 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 79.7 p -129.25 141.99 50.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.847 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 85.9 m -134.88 153.61 51.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.274 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.97 141.32 31.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' ILE . . . . . 0.552 HD12 HD23 ' B' ' 86' ' ' LEU . 96.0 mt -144.95 121.51 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.077 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 109' ' ' GLN . . . . . 0.516 HE21 ' HB3' ' B' ' 83' ' ' ASP . 54.0 mt-30 -135.62 106.98 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.728 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.622 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 21.4 t -65.46 -79.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.127 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.51 ' HG2' HG12 ' B' ' 110' ' ' VAL . 37.3 mmt180 . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.146 -0.93 . . . . 0.0 111.066 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.529 HG23 HD12 ' B' ' 24' ' ' LEU . 3.2 m . . . . . 0 C--O 1.232 0.156 0 N-CA-C 110.21 -0.292 . . . . 0.0 110.21 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.41 151.1 39.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.814 0.34 . . . . 0.0 111.662 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.48 HD21 ' SG ' ' B' ' 13' ' ' CYS . 68.2 tp -141.65 154.32 45.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.71 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -163.1 15.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ASP . . . . . 0.429 ' HB2' ' HB2' ' B' ' 12' ' ' ASP . 10.0 m-20 -132.42 -177.95 4.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.75 -43.91 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -84.51 -27.12 27.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.429 ' HB2' ' HB2' ' B' ' 9' ' ' ASP . 10.0 m-20 -81.08 10.65 4.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.029 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.48 ' SG ' HD21 ' B' ' 7' ' ' LEU . 99.3 m -77.39 -80.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.486 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.666 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 40.2 m 67.54 169.12 0.11 Allowed Pre-proline 0 N--CA 1.461 0.079 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' PRO . . . . . 0.666 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 7.4 Cg_endo -48.49 81.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.03 1.82 . . . . 0.0 111.769 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.659 ' HB2' HG12 ' B' ' 108' ' ' ILE . 11.0 mt -55.11 -168.09 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.368 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.59 ' HD3' HG23 ' B' ' 108' ' ' ILE . 5.3 mptp? 53.6 -154.94 0.23 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.436 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.469 ' H ' ' HB3' ' B' ' 17' ' ' LYS . 17.0 tp 174.39 -51.67 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.484 0.659 . . . . 0.0 110.83 -178.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.539 ' HA ' ' H ' ' B' ' 111' ' ' ARG . 49.0 m -153.49 145.49 23.66 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.684 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -51.02 148.25 4.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.455 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 108.39 11.73 22.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.344 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -119.32 162.95 17.9 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -138.61 -171.59 3.1 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.424 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.529 HD12 HG23 ' B' ' 5' ' ' VAL . 0.8 OUTLIER -158.39 145.59 17.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.535 179.684 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.605 HG22 ' HG2' ' B' ' 75' ' ' ARG . 48.5 t -139.93 100.49 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.165 179.106 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.2 tp -103.57 146.56 28.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.339 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 58.7 m -142.54 108.04 5.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.7 mt -119.44 156.38 53.23 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.027 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -80.21 149.44 19.58 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.547 2.165 . . . . 0.0 112.289 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.9 p -154.49 -32.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 60.16 101.81 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.75 -9.87 12.76 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.48 2.12 . . . . 0.0 112.341 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 48.2 m -73.3 -29.07 62.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.269 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 45.3 p -74.03 -72.75 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.362 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.85 -23.9 2.75 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.958 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -87.19 97.84 10.99 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.408 0.623 . . . . 0.0 111.041 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -88.55 -155.85 0.35 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.306 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -126.06 119.4 27.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.775 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -96.71 150.49 20.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.599 HD23 ' HG ' ' B' ' 88' ' ' LEU . 68.8 mt -101.89 103.29 13.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.298 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.512 ' HD3' HH21 ' B' ' 91' ' ' ARG . 29.9 mmm180 -81.68 -14.81 56.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.223 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.566 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 56.3 t-20 -166.75 86.87 0.84 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.487 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.0 18.49 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.478 2.118 . . . . 0.0 112.627 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.15 26.17 9.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.25 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.27 -9.36 4.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.183 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 51.0 m -68.62 -33.67 74.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' B' ' 80' ' ' ALA . 30.4 m -129.17 -45.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.579 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.592 HD22 HG22 ' B' ' 78' ' ' VAL . 13.4 mt -81.85 134.58 35.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.984 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -91.08 138.44 31.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.68 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.929 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.8 0.333 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 46.0 t -70.38 149.82 46.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 89.0 m -141.17 131.11 24.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.97 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.466 ' O ' ' HA ' ' B' ' 25' ' ' VAL . 11.2 m-90 -123.19 133.27 54.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.333 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.605 ' HG2' HG22 ' B' ' 25' ' ' VAL . 87.5 mtt180 -129.79 123.35 30.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.546 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -133.41 150.12 51.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.039 0.447 . . . . 0.0 111.61 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.455 ' NH2' ' HA2' ' B' ' 21' ' ' GLY . 12.7 tpt180 -127.25 153.65 45.85 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.329 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.592 HG22 HD22 ' B' ' 48' ' ' LEU . 11.3 t -105.92 115.17 47.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.814 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -128.2 -12.38 5.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.585 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' B' ' 47' ' ' VAL . . . -124.15 156.34 36.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.372 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.674 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 10.7 p -94.0 179.4 5.34 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.497 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.54 170.25 29.08 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.351 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.08 162.11 14.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.999 0.428 . . . . 0.0 110.971 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.465 ' OD1' ' HB ' ' B' ' 108' ' ' ILE . 8.5 p-10 -166.62 -176.41 3.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.052 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -157.88 116.98 3.21 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.752 0.311 . . . . 0.0 111.157 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.439 HD12 ' O ' ' B' ' 42' ' ' ASN . 12.7 tp -73.66 132.6 42.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.34 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.566 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 23.5 mt-10 -127.25 127.39 44.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 0.0 111.538 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.599 ' HG ' HD23 ' B' ' 40' ' ' LEU . 5.2 mp -136.17 156.67 48.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.438 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 34.1 m -141.44 157.82 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 111.224 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -104.74 93.37 4.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.532 ' HD3' ' HG3' ' B' ' 100' ' ' PRO . 37.8 ptt180 -163.7 -175.13 3.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.087 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.464 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 65.3 mtt180 -81.34 122.8 81.47 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 93' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 21.5 Cg_exo -66.28 -13.23 38.98 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.936 2.424 . . . . 0.0 113.602 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 94' ' ' TRP . . . . . 0.464 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 39.3 p90 -100.09 21.75 12.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.349 . . . . 0.0 111.123 -179.328 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 95' ' ' GLU . . . . . 0.417 ' HB3' ' HB2' ' B' ' 98' ' ' ALA . 10.9 mm-40 -122.22 109.99 15.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.02 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -65.56 103.26 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 55.46 79.92 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.1 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.417 ' HB2' ' HB3' ' B' ' 95' ' ' GLU . . . -120.95 136.82 54.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.754 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.415 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 12.2 mm-40 -49.13 106.03 0.58 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.203 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 100' ' ' PRO . . . . . 0.532 ' HG3' ' HD3' ' B' ' 91' ' ' ARG . 2.2 Cg_endo -84.23 143.31 10.07 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.983 2.455 . . . . 0.0 112.21 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.16 -61.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.779 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.25 -163.25 1.02 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.36 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.7 p -174.66 158.16 2.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.049 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.51 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 46.6 t80 -147.84 145.5 28.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.812 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 45.6 t -165.18 131.85 2.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 106' ' ' CYS . . . . . 0.431 ' HB3' ' HB3' ' B' ' 13' ' ' CYS . 90.8 m -149.62 147.06 27.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.68 156.95 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.747 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 108' ' ' ILE . . . . . 0.659 HG12 ' HB2' ' B' ' 16' ' ' LEU . 97.0 mt -145.34 141.23 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.425 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -139.6 139.04 36.67 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.674 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 5.2 t -112.3 160.62 11.63 Favored 'Isoleucine or valine' 0 C--N 1.337 0.065 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.542 178.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.539 ' H ' ' HA ' ' B' ' 19' ' ' THR . 27.7 mmt180 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.659 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 121.061 0.457 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.0 m -59.3 162.44 4.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.465 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.522 HD23 ' N ' ' B' ' 8' ' ' ASP . 8.3 tt -142.92 137.66 29.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.556 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.522 ' N ' HD23 ' B' ' 7' ' ' LEU . 18.5 t70 -137.52 -12.53 1.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ASP . . . . . 0.464 ' HB2' ' HB2' ' B' ' 12' ' ' ASP . 10.0 m-20 -136.87 154.12 50.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.54 -42.94 86.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.63 -16.49 61.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.708 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.464 ' HB2' ' HB2' ' B' ' 9' ' ' ASP . 21.0 t70 -67.23 -7.09 21.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.3 173.9 7.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.451 ' HA ' ' HD2' ' B' ' 15' ' ' PRO . 74.3 m -102.04 102.57 24.65 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' B' ' 14' ' ' SER . 2.8 Cg_endo -44.96 87.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.76 2.307 . . . . 0.0 113.043 -178.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.705 ' HB3' ' HB3' ' B' ' 109' ' ' GLN . 2.3 mm? 63.39 -91.15 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.881 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 16' ' ' LEU . 41.6 mttp -26.52 101.24 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.359 -1.291 . . . . 0.0 112.19 -179.303 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.671 HD22 HG23 ' B' ' 108' ' ' ILE . 7.6 tp -132.13 -163.76 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.497 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.459 ' H ' ' HG ' ' B' ' 18' ' ' LEU . 19.6 m -158.68 150.9 21.49 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.942 0.401 . . . . 0.0 110.685 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.527 ' HG2' HG12 ' B' ' 78' ' ' VAL . 20.9 mt-30 -78.49 137.18 37.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.846 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.504 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 112.51 29.49 3.15 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.831 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.54 ' NE2' ' HG ' ' B' ' 18' ' ' LEU . 6.6 pt20 -145.07 149.47 35.12 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.975 0.417 . . . . 0.0 110.609 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.541 ' HG2' ' HD3' ' B' ' 77' ' ' ARG . 30.2 mt-10 -121.76 175.17 6.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.461 HD11 ' HB2' ' B' ' 7' ' ' LEU . 9.1 tt -154.6 151.18 28.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.145 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 54.8 t -135.05 104.73 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.835 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.495 HD23 ' HB3' ' B' ' 7' ' ' LEU . 89.4 mt -70.62 136.98 49.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 56.0 m -127.12 93.28 3.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.07 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 mp -119.21 151.32 50.73 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.961 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -79.13 140.11 15.49 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.595 2.197 . . . . 0.0 112.35 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.3 p -161.79 170.08 20.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.075 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -144.05 96.64 5.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.797 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.4 -5.12 7.73 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.615 2.21 . . . . 0.0 112.396 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -91.19 1.9 56.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.398 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.0 p -105.04 -65.04 1.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.36 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.59 -35.4 0.81 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.765 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -87.01 105.61 17.27 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.324 0.583 . . . . 0.0 110.946 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.437 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 14.8 mmm180 -106.01 -158.25 0.65 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.592 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.437 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 94.3 m95 -118.29 112.16 19.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -93.91 155.11 17.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.204 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.537 HD23 ' HG ' ' B' ' 88' ' ' LEU . 16.1 mt -104.1 116.35 32.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.242 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.539 ' HB2' ' HB3' ' B' ' 87' ' ' GLU . 4.2 mmp_? -93.16 -17.41 23.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.27 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.53 ' HB3' ' HB2' ' B' ' 87' ' ' GLU . 63.4 t30 -175.03 88.17 0.31 Allowed Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.722 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.47 ' HB3' HD13 ' B' ' 40' ' ' LEU . 76.2 Cg_endo -76.89 20.33 0.63 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.561 2.174 . . . . 0.0 112.545 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 58.13 27.69 15.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.86 -7.1 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.516 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -74.62 -28.76 61.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.036 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.449 HG23 ' N ' ' B' ' 48' ' ' LEU . 21.4 m -136.58 -45.74 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.466 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.75 HD11 HG21 ' B' ' 108' ' ' ILE . 18.3 mt -80.77 119.7 23.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.554 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.46 ' NZ ' ' HB3' ' B' ' 49' ' ' LYS . 5.5 ttpm? -84.72 138.07 32.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.775 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.859 0.362 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 72' ' ' SER . . . . . 0.403 ' HG ' ' HD1' ' B' ' 38' ' ' TRP . 52.3 m -94.36 141.85 28.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 63.4 m -140.46 113.72 8.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -113.84 116.08 28.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.81 135.33 46.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -139.47 158.22 44.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.242 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.541 ' HD3' ' HG2' ' B' ' 23' ' ' GLU . 7.2 tpt180 -146.8 137.55 23.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.479 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.599 HG22 HD22 ' B' ' 48' ' ' LEU . 17.6 t -85.21 121.99 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.727 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.63 -44.79 4.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.767 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.75 179.92 5.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.022 0.439 . . . . 0.0 111.447 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.79 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 6.3 p -81.73 -167.86 1.68 Allowed 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.835 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.3 155.75 13.66 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.471 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -91.67 143.86 26.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.934 0.397 . . . . 0.0 111.106 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.449 ' OD2' ' HB ' ' B' ' 108' ' ' ILE . 2.5 p-10 -159.19 177.13 11.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.816 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -156.7 102.65 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.517 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.44 ' HB3' ' HB3' ' B' ' 106' ' ' CYS . 10.9 tp -53.23 146.05 12.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.531 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.539 ' HB3' ' HB2' ' B' ' 41' ' ' ARG . 4.4 mm-40 -143.87 116.98 8.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.924 0.393 . . . . 0.0 111.718 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.537 ' HG ' HD23 ' B' ' 40' ' ' LEU . 5.8 mp -131.15 146.53 52.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.14 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.513 HG21 ' HE ' ' B' ' 91' ' ' ARG . 14.9 m -138.8 163.75 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.742 0.306 . . . . 0.0 111.155 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 90' ' ' TYR . . . . . 0.492 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 44.9 t80 -110.93 96.82 6.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.211 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.513 ' HE ' HG21 ' B' ' 89' ' ' VAL . 27.3 ptt180 -166.98 167.16 14.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.709 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.526 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 89.7 mtt180 -60.04 119.72 44.23 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.512 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.34 -28.7 85.68 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.789 2.326 . . . . 0.0 113.55 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 94' ' ' TRP . . . . . 0.526 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 13.3 p90 -79.86 14.62 1.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.67 0.271 . . . . 0.0 111.581 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 95' ' ' GLU . . . . . 0.501 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 41.9 mt-10 -112.76 123.27 49.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.778 0.323 . . . . 0.0 110.774 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 96' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' B' ' 96' ' ' LYS . 13.0 mptt -67.55 -51.35 51.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.794 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -141.66 105.25 4.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.491 ' H ' ' NH1' ' B' ' 91' ' ' ARG . . . -148.5 129.27 14.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.793 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.453 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 36.7 mt-10 -54.46 117.8 14.49 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.064 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 100' ' ' PRO . . . . . 0.492 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 9.4 Cg_endo -87.9 165.82 7.28 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 123.214 2.609 . . . . 0.0 112.263 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.87 -30.57 21.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.025 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.492 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 27.9 mt-10 -125.55 -172.3 2.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.091 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 79.8 p -173.14 162.17 4.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.726 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.493 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 59.1 t80 -156.31 150.21 25.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.399 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 86.7 p -159.93 123.23 3.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.323 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 106' ' ' CYS . . . . . 0.44 ' HB3' ' HB3' ' B' ' 86' ' ' LEU . 53.2 t -113.64 131.29 56.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.521 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.56 118.05 21.81 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.93 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 108' ' ' ILE . . . . . 0.75 HG21 HD11 ' B' ' 48' ' ' LEU . 20.0 mt -140.41 115.69 7.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 109' ' ' GLN . . . . . 0.705 ' HB3' ' HB3' ' B' ' 16' ' ' LEU . 53.2 tt0 -135.41 112.99 10.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.25 178.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.79 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 3.4 t -95.17 162.78 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.236 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.547 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 24.3 tpt180 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.352 -0.832 . . . . 0.0 110.748 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.462 HG22 ' HB2' ' B' ' 23' ' ' GLU . 54.5 t . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 121.429 0.633 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.86 145.35 32.26 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.679 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.559 HD23 HD21 ' B' ' 26' ' ' LEU . 44.2 tp -167.26 152.94 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.094 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -162.26 14.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -139.47 159.53 41.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.831 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.55 -34.9 9.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.386 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.94 -27.21 68.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.134 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -83.19 10.79 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 77.6 m -96.23 134.91 38.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.02 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 4.1 p -164.51 161.02 15.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.699 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.8 75.48 0.31 Allowed 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.267 1.978 . . . . 0.0 111.602 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.5 HD12 ' H ' ' B' ' 17' ' ' LYS . 56.5 tp -90.32 149.65 22.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.638 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.5 ' H ' HD12 ' B' ' 16' ' ' LEU . 41.4 mttm -83.1 134.94 34.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.378 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.51 ' H ' ' HA ' ' B' ' 110' ' ' VAL . 0.4 OUTLIER -122.64 -165.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.493 -179.355 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.3 m -160.21 147.99 16.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.509 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -60.47 111.25 1.51 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 141.94 -7.59 2.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.546 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -105.51 -170.57 1.76 Allowed 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.827 0.346 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.462 ' HB2' HG22 ' B' ' 5' ' ' VAL . 43.3 mt-10 -150.47 -167.3 2.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.508 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.524 HD23 ' N ' ' B' ' 25' ' ' VAL . 5.7 tt -163.53 128.74 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.927 179.398 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.524 ' N ' HD23 ' B' ' 24' ' ' LEU . 48.0 t -126.5 140.8 47.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.977 0.418 . . . . 0.0 111.4 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.559 HD21 HD23 ' B' ' 7' ' ' LEU . 47.9 mt -126.1 126.07 43.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.846 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.416 ' C ' HD22 ' B' ' 28' ' ' LEU . 63.8 m -129.02 97.68 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.328 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.462 HD22 ' N ' ' B' ' 28' ' ' LEU . 3.1 mm? -117.45 158.23 45.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.628 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.69 142.18 20.17 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.572 2.181 . . . . 0.0 112.233 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -152.83 -51.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.194 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 61.07 98.4 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.39 -13.06 6.76 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.56 2.173 . . . . 0.0 112.596 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 79.2 p -69.48 -4.53 19.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.281 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 59.1 p -102.81 -69.17 0.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.298 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.88 -36.99 1.29 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.923 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -79.71 100.03 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.116 0.484 . . . . 0.0 110.971 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.436 HH22 ' HA ' ' B' ' 72' ' ' SER . 17.0 mmm180 -92.34 -155.1 0.41 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.864 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.412 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 92.8 m95 -129.62 117.17 19.96 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.94 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -98.22 152.72 19.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.981 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.447 HD23 ' HG ' ' B' ' 88' ' ' LEU . 94.2 mt -95.63 107.12 19.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.274 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -79.29 -18.87 51.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.358 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.58 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 10.3 t30 -173.28 90.38 0.37 Allowed Pre-proline 0 CA--C 1.53 0.205 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.648 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.412 ' HB3' HD13 ' B' ' 40' ' ' LEU . 73.8 Cg_endo -74.0 8.91 1.86 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.585 2.19 . . . . 0.0 112.522 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 52.94 30.87 9.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.64 -8.66 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.364 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 53.5 m -65.96 -30.14 70.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.48 HG23 ' HG ' ' B' ' 48' ' ' LEU . 34.7 m -131.66 -39.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.674 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.547 HD22 HG22 ' B' ' 78' ' ' VAL . 18.8 mt -90.01 123.22 33.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.836 0.35 . . . . 0.0 110.741 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.468 ' NZ ' ' HE ' ' B' ' 77' ' ' ARG . 5.0 ttpm? -75.63 151.93 37.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.034 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 72' ' ' SER . . . . . 0.436 ' HA ' HH22 ' B' ' 37' ' ' ARG . 47.7 t -93.45 122.46 35.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 71.0 m -125.88 128.15 47.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -126.5 136.41 52.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.755 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -143.34 124.95 14.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.048 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -137.28 144.24 42.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.919 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.468 ' HE ' ' NZ ' ' B' ' 49' ' ' LYS . 4.1 tmm_? -117.33 129.84 56.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.323 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.547 HG22 HD22 ' B' ' 48' ' ' LEU . 11.0 t -68.82 110.75 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.245 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -116.47 -10.55 11.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.393 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.421 ' HB3' ' HA ' ' B' ' 47' ' ' VAL . . . -144.55 157.78 44.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.059 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.543 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 58.4 m -99.3 168.29 10.12 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 121.12 0.486 . . . . 0.0 110.697 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 136.48 170.96 12.11 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.662 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -93.46 112.47 24.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.958 0.409 . . . . 0.0 110.82 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.424 ' OD2' ' HB ' ' B' ' 108' ' ' ILE . 9.8 p-10 -127.85 -173.29 2.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.001 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -166.89 104.45 0.57 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.091 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.552 ' HG ' HD12 ' B' ' 108' ' ' ILE . 13.1 mt -59.75 141.36 55.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 110.676 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.58 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 25.4 mt-10 -140.07 128.91 23.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.984 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.447 ' HG ' HD23 ' B' ' 40' ' ' LEU . 5.0 mp -136.82 167.29 21.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.33 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.482 HG22 ' N ' ' B' ' 90' ' ' TYR . 7.4 p -150.78 158.38 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.133 0.492 . . . . 0.0 111.426 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 90' ' ' TYR . . . . . 0.543 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 26.9 t80 -103.14 101.02 10.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.925 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.411 ' HD3' ' HB3' ' B' ' 100' ' ' PRO . 38.8 ptt180 -165.53 174.92 9.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.513 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 99.1 mtt180 -78.76 133.3 62.53 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.714 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 93' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 16.7 Cg_exo -68.01 -47.22 1.88 Allowed 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.711 2.274 . . . . 0.0 113.11 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 94' ' ' TRP . . . . . 0.513 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 12.7 p90 -57.88 -25.78 61.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.553 -179.31 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -72.65 104.95 4.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.89 0.376 . . . . 0.0 110.744 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -71.32 100.69 2.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.736 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 57.1 88.66 0.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.822 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.44 156.66 48.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.55 110.99 3.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.006 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 100' ' ' PRO . . . . . 0.411 ' HB3' ' HD3' ' B' ' 91' ' ' ARG . 90.5 Cg_endo -84.62 -166.4 0.35 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.574 2.183 . . . . 0.0 112.425 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.56 -82.48 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.543 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 0.6 OUTLIER -69.46 -166.2 0.09 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.251 0.548 . . . . 0.0 111.252 179.821 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 79.4 p -175.5 155.0 1.73 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.703 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -151.17 102.88 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 79.3 p -119.44 146.35 45.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.105 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 96.4 m -146.89 136.65 23.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.57 146.57 25.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' ILE . . . . . 0.552 HD12 ' HG ' ' B' ' 86' ' ' LEU . 88.7 mt -148.48 137.58 15.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.544 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -142.18 157.07 45.28 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.235 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.543 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 0.3 OUTLIER -136.6 -153.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.309 179.756 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.427 ' H ' HG12 ' B' ' 110' ' ' VAL . 31.4 mmt180 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.119 -0.943 . . . . 0.0 111.091 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' B' ' 24' ' ' LEU . 12.5 m . . . . . 0 C--O 1.231 0.097 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -126.51 161.79 27.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.004 0.43 . . . . 0.0 111.607 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 57.8 tp -137.21 148.95 46.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.641 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -171.68 19.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ASP . . . . . 0.483 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 11.1 m-20 -102.27 -50.07 3.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' B' ' 9' ' ' ASP . . . 75.43 -46.98 0.59 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.481 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -77.5 -27.05 51.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 110.685 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -80.37 1.45 28.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.656 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 67.3 m -63.98 129.84 41.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.519 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.548 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 16.5 m -159.95 163.35 22.68 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.951 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' PRO . . . . . 0.548 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 20.3 Cg_endo -61.4 79.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.046 1.831 . . . . 0.0 111.699 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' B' ' 14' ' ' SER . 40.1 tp -80.51 142.93 33.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.652 -179.239 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -92.65 115.76 28.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.54 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.443 ' H ' ' HA ' ' B' ' 110' ' ' VAL . 10.9 mp -108.98 -168.72 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.048 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.7 m -158.81 145.38 17.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.295 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -52.52 104.2 0.08 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.702 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.507 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 146.29 13.06 0.19 Allowed Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.879 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -129.79 144.19 51.18 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.581 ' HG2' ' HB2' ' B' ' 77' ' ' ARG . 45.2 mt-10 -122.43 -176.59 3.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.943 0.401 . . . . 0.0 111.556 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' B' ' 75' ' ' ARG . 1.4 mt -152.96 146.2 24.76 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.004 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 97.2 t -145.04 92.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.325 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.9 tp -98.09 127.96 44.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.246 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -120.1 140.83 50.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 95.9 mt -142.16 129.33 11.3 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.782 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.72 144.61 94.22 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.493 2.128 . . . . 0.0 112.282 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.407 ' HB3' ' HE1' ' B' ' 38' ' ' TRP . 76.6 p -139.17 175.23 9.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.767 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -132.02 86.0 48.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.814 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -62.27 -7.16 9.62 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.542 2.161 . . . . 0.0 112.42 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 76.3 p -87.12 8.26 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.387 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 69.8 p -115.83 -66.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.388 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.88 -20.27 1.79 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.893 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -88.18 97.3 10.92 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.099 0.476 . . . . 0.0 111.027 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.547 ' HB2' ' HD3' ' B' ' 93' ' ' PRO . 0.6 OUTLIER -88.38 -152.93 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.479 179.477 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.407 ' HE1' ' HB3' ' B' ' 30' ' ' SER . 96.3 m95 -121.0 120.82 36.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -109.15 126.5 53.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.545 ' HG ' ' HG ' ' B' ' 88' ' ' LEU . 1.2 tt -95.48 109.34 21.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.549 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -75.53 -68.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.56 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 51.7 t-20 -102.34 99.3 12.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -79.0 -3.92 13.54 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.505 2.137 . . . . 0.0 112.665 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.434 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 55.68 27.6 10.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.8 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.71 -5.91 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.348 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -68.28 -35.97 78.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 28.3 m -132.83 3.94 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.625 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' B' ' 44' ' ' ALA . 92.4 mt -126.64 124.97 41.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.97 0.414 . . . . 0.0 111.353 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.456 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . 16.7 mmtt -111.68 -163.4 0.85 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.569 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.553 ' HB2' ' HB3' ' B' ' 77' ' ' ARG . 29.0 tpt180 . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 121.047 0.451 . . . . 0.0 111.532 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.857 0.361 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 42.7 t -111.74 170.22 8.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 58.7 m -154.95 138.18 15.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.947 0.403 . . . . 0.0 111.412 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 7.1 m-90 -138.37 112.38 8.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.406 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.471 ' HA ' ' O ' ' B' ' 24' ' ' LEU . 29.7 ptt180 -119.33 139.25 52.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.665 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.493 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -148.26 178.46 8.55 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.691 179.634 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.581 ' HB2' ' HG2' ' B' ' 23' ' ' GLU . 9.3 tpt180 -152.33 141.27 21.14 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.321 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 93.9 t -71.55 95.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.876 0.37 . . . . 0.0 110.737 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.456 ' HB2' ' HB2' ' B' ' 49' ' ' LYS . . . -69.07 -50.06 51.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.239 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.52 -176.94 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.964 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.729 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 58.6 m -73.76 -165.06 0.25 Allowed 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.773 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.22 163.6 26.55 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.483 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -100.43 162.15 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.634 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -168.85 -179.84 3.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.524 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -160.18 104.89 1.5 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.469 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.402 HD12 ' O ' ' B' ' 42' ' ' ASN . 10.2 tp -67.87 125.08 25.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.637 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.56 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 17.2 mt-10 -122.21 116.5 24.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.117 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.545 ' HG ' ' HG ' ' B' ' 40' ' ' LEU . 5.3 mp -121.29 156.21 33.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.66 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 32.8 m -142.7 161.76 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -111.24 102.43 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.77 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.474 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 23.7 ptt180 -159.38 177.08 11.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.791 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.496 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 54.0 mtt180 -63.05 145.08 97.04 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.41 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 93' ' ' PRO . . . . . 0.547 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 78.7 Cg_endo -82.46 -2.75 11.19 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.782 2.321 . . . . 0.0 113.621 -178.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 94' ' ' TRP . . . . . 0.496 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 18.8 p90 -115.98 18.59 15.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.754 0.312 . . . . 0.0 111.43 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -114.72 122.67 47.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -91.11 106.99 18.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.675 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 97' ' ' ASP . . . . . 0.407 ' H ' HH12 ' B' ' 91' ' ' ARG . 21.1 t70 57.48 81.12 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.041 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.1 177.45 7.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.473 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 40.9 mt-10 -77.06 113.05 27.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.059 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 100' ' ' PRO . . . . . 0.474 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 11.3 Cg_endo -91.13 158.99 3.85 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 123.413 2.742 . . . . 0.0 112.455 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.36 -71.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.797 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -87.9 -163.37 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.053 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.5 p -174.59 158.79 2.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.43 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 56.9 t80 -154.15 148.81 26.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.826 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 78.1 p -159.95 140.42 11.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.765 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -149.88 135.78 18.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 111.404 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.16 138.56 31.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.063 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 98.3 mt -140.99 145.46 25.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.938 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -149.11 161.36 42.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.584 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.729 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 15.8 t -136.44 155.52 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.93 0.395 . . . . 0.0 111.092 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.418 ' N ' HG12 ' B' ' 110' ' ' VAL . 28.8 mmt180 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.144 -0.931 . . . . 0.0 110.995 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.842 0.353 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.42 -175.95 3.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.513 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 67.1 tp -168.98 149.53 4.34 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.618 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -162.85 -27.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.177 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -79.61 109.81 14.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.959 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.54 ' C ' ' H ' ' B' ' 12' ' ' ASP . . . -72.48 157.11 38.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 t70 63.39 -13.8 0.08 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.132 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.54 ' H ' ' C ' ' B' ' 10' ' ' ALA . 23.5 t70 -83.36 7.6 16.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.148 0.499 . . . . 0.0 109.869 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 12.9 m -88.19 170.9 10.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.789 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.501 ' O ' ' N ' ' B' ' 16' ' ' LEU . 27.9 m -164.43 165.15 13.15 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.259 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' PRO . . . . . 0.466 ' HB3' ' NE2' ' B' ' 109' ' ' GLN . 53.1 Cg_exo -52.89 81.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.056 1.837 . . . . 0.0 111.792 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' B' ' 14' ' ' SER . 5.9 mt -51.74 163.01 0.35 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.507 0.67 . . . . 0.0 112.622 -179.207 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -133.98 77.6 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.214 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.404 HD13 ' HB3' ' B' ' 16' ' ' LEU . 10.9 mp -92.84 -169.13 2.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.181 -179.521 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.1 m -157.59 156.04 31.21 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.088 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -49.63 100.71 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.01 24.23 0.99 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.287 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -115.19 105.05 12.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.708 0.29 . . . . 0.0 111.021 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -80.09 159.77 26.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.058 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.505 HD23 ' N ' ' B' ' 25' ' ' VAL . 3.6 tt -159.44 132.33 6.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.193 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.505 ' N ' HD23 ' B' ' 24' ' ' LEU . 88.7 t -128.31 116.4 41.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.749 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.544 ' HB2' ' HB2' ' B' ' 74' ' ' TRP . 44.4 mt -93.11 155.67 17.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.0 0.429 . . . . 0.0 111.357 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 67.7 m -157.07 103.3 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.447 HD22 ' N ' ' B' ' 28' ' ' LEU . 3.6 mm? -104.03 148.38 35.79 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.744 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -79.78 119.69 4.08 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.497 2.132 . . . . 0.0 112.335 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 87.9 p -124.49 -174.78 3.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -135.59 92.82 16.76 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' PRO . . . . . 0.409 ' HB3' HH12 ' B' ' 37' ' ' ARG . 32.8 Cg_exo -60.03 -13.96 25.86 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.51 2.14 . . . . 0.0 112.44 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 53.6 m -76.45 -30.33 57.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.2 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 40.7 p -87.48 -74.16 0.45 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.559 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.51 -17.94 1.14 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.712 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -82.74 98.99 9.38 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.47 0.652 . . . . 0.0 110.921 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.409 HH12 ' HB3' ' B' ' 32' ' ' PRO . 0.8 OUTLIER -95.58 -158.63 0.66 Allowed 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.26 179.155 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -120.78 117.4 27.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.41 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -100.64 146.44 27.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.607 ' HG ' ' HG ' ' B' ' 88' ' ' LEU . 0.8 OUTLIER -108.13 103.53 12.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.599 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.473 ' NE ' ' HA ' ' B' ' 41' ' ' ARG . 4.0 mmp_? -71.57 -66.86 0.57 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.156 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -109.11 94.18 14.54 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.661 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.441 ' HB3' HD13 ' B' ' 40' ' ' LEU . 88.1 Cg_endo -81.63 9.71 3.79 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.593 2.195 . . . . 0.0 112.921 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.561 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 55.37 32.92 19.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.588 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.12 -15.02 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.784 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 48.1 t -68.88 -14.96 63.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.039 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.426 HG23 ' HG ' ' B' ' 48' ' ' LEU . 32.8 m -142.99 -10.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.101 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' B' ' 44' ' ' ALA . 80.0 mt -115.59 120.85 40.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.064 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.78 -166.86 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.577 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.575 ' HB3' ' H ' ' B' ' 77' ' ' ARG . 54.9 ttt180 . . . . . 0 C--N 1.331 -0.217 0 CA-C-O 120.903 0.383 . . . . 0.0 111.335 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.893 0.378 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 80.5 p -76.2 -175.72 3.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.77 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 56.5 m -153.42 123.74 7.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.16 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.544 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 76.7 m95 -134.0 132.65 40.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.635 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -136.21 134.54 38.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.173 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.49 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 1.4 p90 -168.04 149.83 5.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.575 ' H ' ' HB3' ' B' ' 50' ' ' ARG . 1.5 tmm_? -129.36 143.27 50.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.725 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.479 ' N ' ' HD2' ' B' ' 77' ' ' ARG . 42.9 t -62.78 116.91 3.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.543 -179.59 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.12 -36.16 12.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.409 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -152.39 172.56 16.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.093 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.745 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 25.8 p -75.66 -170.67 1.34 Allowed 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.136 0.493 . . . . 0.0 111.023 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.02 152.75 8.47 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.555 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -100.88 111.86 24.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.854 0.359 . . . . 0.0 111.026 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -137.6 -170.97 2.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.654 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -150.91 149.76 30.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.782 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 9.2 tp -96.82 144.81 26.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.355 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -141.8 109.81 5.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.859 0.362 . . . . 0.0 111.762 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.607 ' HG ' ' HG ' ' B' ' 40' ' ' LEU . 6.8 mp -121.08 157.03 30.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.336 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.603 HG21 ' HE ' ' B' ' 91' ' ' ARG . 15.4 m -143.23 171.77 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.732 0.301 . . . . 0.0 111.225 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 90' ' ' TYR . . . . . 0.468 ' CB ' ' HB2' ' B' ' 102' ' ' GLU . 44.1 t80 -116.37 97.4 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.393 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.603 ' HE ' HG21 ' B' ' 89' ' ' VAL . 18.9 ptt180 -167.53 167.85 13.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.554 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 40.7 mtt180 -60.74 122.96 72.26 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.651 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 93' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 35.8 Cg_exo -62.0 -27.89 79.97 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.711 2.274 . . . . 0.0 113.325 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 94' ' ' TRP . . . . . 0.48 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 18.1 p90 -81.15 19.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.674 0.273 . . . . 0.0 111.691 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 95' ' ' GLU . . . . . 0.554 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 46.7 mt-10 -112.23 125.08 53.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.831 0.348 . . . . 0.0 110.845 179.417 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -62.53 -51.43 67.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.954 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 97' ' ' ASP . . . . . 0.432 ' HA ' HH12 ' B' ' 91' ' ' ARG . 16.7 t70 -151.83 110.66 3.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.495 ' H ' ' NH1' ' B' ' 91' ' ' ARG . . . -138.23 -176.82 4.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.769 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -103.9 99.03 14.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.96 132.58 23.31 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.515 2.143 . . . . 0.0 112.247 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.41 -48.65 80.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.35 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.468 ' HB2' ' CB ' ' B' ' 90' ' ' TYR . 25.0 mt-10 -103.87 -170.7 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.1 p -167.88 161.03 12.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.63 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.561 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 66.6 t80 -155.41 155.13 33.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.472 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 28.7 t -167.61 140.72 3.36 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.499 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 20.0 t -144.54 113.53 6.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.676 0.274 . . . . 0.0 111.412 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.7 134.2 55.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.601 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 27.1 mt -138.17 116.35 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.703 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 109' ' ' GLN . . . . . 0.466 ' NE2' ' HB3' ' B' ' 15' ' ' PRO . 77.5 mt-30 -123.68 137.71 54.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.744 178.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.745 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 18.7 t -128.37 156.22 40.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.195 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.574 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 34.0 mmt180 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.025 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.424 ' O ' HD12 ' B' ' 24' ' ' LEU . 2.5 p . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 121.048 0.451 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.12 164.33 24.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.777 -178.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 62.9 tp -142.38 146.6 35.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.595 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -136.83 -42.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -88.05 159.12 18.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.77 -3.88 9.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -79.57 -18.39 51.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -93.83 -4.42 50.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 73.0 m -59.85 135.19 57.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.136 0.493 . . . . 0.0 111.175 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.444 ' HB2' ' HD2' ' B' ' 15' ' ' PRO . 6.7 p -173.43 163.06 3.33 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.07 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' B' ' 14' ' ' SER . 18.9 Cg_endo -61.28 77.51 0.08 OUTLIER 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.21 1.94 . . . . 0.0 111.463 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' B' ' 14' ' ' SER . 63.7 tp -83.49 137.63 33.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.381 -179.358 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.482 ' HA ' ' O ' ' B' ' 109' ' ' GLN . 6.1 mtpm? -82.23 104.27 12.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.897 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.477 HD22 HG23 ' B' ' 108' ' ' ILE . 10.6 mp -94.58 -169.24 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.903 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.2 m -154.76 149.93 27.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.036 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -70.58 104.29 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.905 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 152.25 23.34 0.05 OUTLIER Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.314 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -143.18 165.62 26.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.717 0.259 . . . . 0.0 110.611 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -117.42 -173.31 2.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.379 0.609 . . . . 0.0 111.835 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.424 HD12 ' O ' ' B' ' 5' ' ' VAL . 9.4 tp -163.01 114.34 1.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.049 179.122 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.456 HG13 ' HG2' ' B' ' 75' ' ' ARG . 58.8 t -127.07 92.15 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.982 0.42 . . . . 0.0 110.885 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.71 157.33 24.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.207 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 66.6 m -155.59 111.8 3.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -134.75 155.03 79.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.38 142.16 11.72 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.597 2.198 . . . . 0.0 112.435 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 73.4 p -146.31 -179.77 6.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.688 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -126.61 83.98 63.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.63 -16.79 56.79 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.628 2.218 . . . . 0.0 112.217 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 67.6 p -89.16 -17.94 28.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 90.1 m -83.37 -68.26 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.06 -36.6 0.56 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.538 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -78.03 102.55 7.48 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.06 0.457 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.423 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 14.9 mmm180 -103.2 -159.54 0.73 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.129 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.423 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 97.0 m95 -118.54 126.35 51.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.831 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -111.04 134.13 52.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' B' ' 43' ' ' PRO . 51.4 tp -79.56 130.25 35.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.736 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.635 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 0.0 OUTLIER -110.01 -50.85 2.93 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.274 -179.526 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.59 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 63.0 t30 -143.87 93.2 6.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.024 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.619 ' HB3' HD21 ' B' ' 40' ' ' LEU . 75.4 Cg_endo -76.83 13.07 1.53 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.554 2.17 . . . . 0.0 112.589 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.444 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 54.24 30.67 12.74 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.04 -9.52 2.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.461 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 57.6 m -62.44 -32.28 73.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.411 HG23 ' HG ' ' B' ' 48' ' ' LEU . 35.9 m -130.98 -36.45 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.635 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.569 HD22 HG22 ' B' ' 78' ' ' VAL . 14.2 mt -88.57 124.41 34.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.789 0.328 . . . . 0.0 110.856 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -85.84 144.17 27.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.85 0.357 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 78.8 p -108.11 134.5 50.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.963 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 63.0 m -145.46 103.83 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.869 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -105.85 114.2 28.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.788 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.456 ' HG2' HG13 ' B' ' 25' ' ' VAL . 72.6 mtm180 -97.81 141.14 31.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.083 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -146.29 166.94 24.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.498 ' HD3' ' N ' ' B' ' 78' ' ' VAL . 4.1 tmt_? -151.78 136.39 17.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.392 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.569 HG22 HD22 ' B' ' 48' ' ' LEU . 26.6 t -86.42 121.46 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.085 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.484 ' HB2' HH11 ' B' ' 77' ' ' ARG . . . -132.7 -19.18 2.37 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.529 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -129.64 152.06 49.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.931 0.396 . . . . 0.0 111.262 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.617 ' HB2' ' HB2' ' B' ' 111' ' ' ARG . 11.8 p -88.45 -179.55 6.1 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 115.76 179.48 18.27 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.513 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -100.74 154.36 18.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.938 0.399 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -168.59 -176.08 2.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.649 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -163.2 111.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.525 ' HG ' HD12 ' B' ' 108' ' ' ILE . 17.5 mt -64.56 143.41 57.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.754 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.59 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 18.8 mt-10 -139.42 109.25 6.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.272 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.406 ' N ' HD12 ' B' ' 88' ' ' LEU . 6.4 mp -118.72 118.5 31.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.3 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.446 HG22 ' N ' ' B' ' 90' ' ' TYR . 7.8 p -99.83 160.8 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.112 0.482 . . . . 0.0 111.315 -179.269 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 90' ' ' TYR . . . . . 0.446 ' N ' HG22 ' B' ' 89' ' ' VAL . 61.8 t80 -115.09 97.96 6.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.941 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.543 HH21 ' HG3' ' B' ' 100' ' ' PRO . 16.4 ptp180 -151.04 179.54 8.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.823 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.461 ' HA ' ' HD3' ' B' ' 93' ' ' PRO . 99.1 mtt180 -83.72 137.9 41.02 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.577 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 93' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 19.4 Cg_exo -66.62 -43.18 7.95 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.79 2.327 . . . . 0.0 113.329 -179.188 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 94' ' ' TRP . . . . . 0.455 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 4.2 p90 -68.59 -17.13 64.07 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.099 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 95' ' ' GLU . . . . . 0.429 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 35.9 mt-10 -78.46 -21.61 48.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.491 0.186 . . . . 0.0 111.236 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt 62.82 -79.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.283 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -124.09 101.56 7.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.825 0.345 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.77 -178.95 6.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.986 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -78.3 113.32 32.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.059 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 100' ' ' PRO . . . . . 0.543 ' HG3' HH21 ' B' ' 91' ' ' ARG . 84.9 Cg_endo -79.97 165.8 21.58 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.59 2.193 . . . . 0.0 112.605 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.19 -53.53 4.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.007 0.432 . . . . 0.0 110.946 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -104.0 -163.01 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.616 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.1 p -175.04 155.64 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.831 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -152.1 140.36 20.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 80.2 p -159.21 121.35 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.561 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.66 140.0 53.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.029 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.404 ' HB3' ' C ' ' B' ' 14' ' ' SER . . . -82.56 141.0 32.95 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 108' ' ' ILE . . . . . 0.525 HD12 ' HG ' ' B' ' 86' ' ' LEU . 90.6 mt -147.97 131.75 8.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 109' ' ' GLN . . . . . 0.482 ' O ' ' HA ' ' B' ' 17' ' ' LYS . 52.3 tt0 -149.64 108.46 3.86 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.799 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.606 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 55.2 t -59.96 -91.4 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.112 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.617 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 39.7 mmt180 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.911 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' B' ' 24' ' ' LEU . 58.9 t . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.677 0.275 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.44 HG22 ' N ' ' B' ' 7' ' ' LEU . 3.5 m -124.28 163.83 20.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.898 0.38 . . . . 0.0 111.236 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.459 HD23 ' N ' ' B' ' 8' ' ' ASP . 0.5 OUTLIER -133.81 128.63 35.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.522 179.843 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.459 ' N ' HD23 ' B' ' 7' ' ' LEU . 19.2 t70 -139.4 -8.64 1.29 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -129.39 114.17 15.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.559 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.12 -0.57 7.98 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.829 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -106.81 -6.43 17.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.797 0.332 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -80.01 12.18 2.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.592 ' HB3' ' HA ' ' B' ' 106' ' ' CYS . 38.3 m -59.6 143.81 49.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.444 ' HA ' ' HD3' ' B' ' 15' ' ' PRO . 32.2 t -177.77 138.14 0.39 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.698 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 14' ' ' SER . 24.3 Cg_exo -63.66 80.78 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.282 1.988 . . . . 0.0 111.583 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 44.3 tp -89.97 161.13 16.03 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.638 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -112.58 131.52 55.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.702 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.634 ' H ' ' HA ' ' B' ' 110' ' ' VAL . 11.0 mp -114.68 -167.61 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.764 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.9 m -154.56 144.73 21.94 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.682 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -56.65 100.41 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.809 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 150.76 -8.68 0.72 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.544 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -104.02 -179.38 3.93 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -146.98 -171.67 3.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.483 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.518 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 3.2 tt -167.41 134.22 2.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.488 178.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.561 HG22 ' HG2' ' B' ' 75' ' ' ARG . 90.9 t -129.41 115.21 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.609 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.444 HD11 HD13 ' B' ' 86' ' ' LEU . 96.0 mt -78.96 138.28 37.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.974 0.416 . . . . 0.0 111.284 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 54.8 m -132.61 120.03 21.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' B' ' 72' ' ' SER . 6.4 mp -111.34 154.02 43.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.285 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -80.4 12.89 2.39 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 123.03 2.487 . . . . 0.0 111.392 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.42 ' CB ' ' HE1' ' B' ' 38' ' ' TRP . 84.4 p -57.97 173.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.215 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -147.83 141.83 16.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.605 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -52.17 -59.16 1.19 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.506 2.137 . . . . 0.0 112.913 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 43.2 m -82.65 84.83 7.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.485 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 27.0 p -150.31 -68.72 0.19 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.965 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.98 -36.74 1.65 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.836 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' PHE . . . . . 0.601 ' HA ' ' HG2' ' B' ' 92' ' ' ARG . 17.8 m-85 -88.31 101.17 13.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.089 0.471 . . . . 0.0 110.92 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -77.67 -147.12 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.507 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.42 ' HE1' ' CB ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -136.65 120.11 17.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.763 179.857 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -111.93 118.56 35.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.758 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.503 HD23 ' N ' ' B' ' 41' ' ' ARG . 2.0 tt -91.13 128.8 37.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.905 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.503 ' N ' HD23 ' B' ' 40' ' ' LEU . 22.4 mmm180 -96.75 -67.03 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.938 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.613 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 62.7 t30 -118.14 95.57 48.53 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.059 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.424 ' HA ' ' CD2' ' B' ' 86' ' ' LEU . 86.5 Cg_endo -77.56 5.66 5.02 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.531 2.154 . . . . 0.0 112.906 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.439 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 54.67 27.99 9.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.821 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.3 -17.22 18.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.463 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.3 t -62.54 -21.58 65.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.076 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 30.6 m -131.8 -13.07 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.502 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' B' ' 44' ' ' ALA . 80.1 mt -109.27 159.92 16.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.842 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.62 ' HE2' ' HA ' ' B' ' 49' ' ' LYS . 0.1 OUTLIER -137.24 -142.45 0.17 Allowed 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.486 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.528 ' HB3' ' HA ' ' B' ' 76' ' ' PHE . 46.7 ttt180 . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 121.315 0.578 . . . . 0.0 110.805 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.891 0.377 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 72' ' ' SER . . . . . 0.54 ' HB3' HD13 ' B' ' 28' ' ' LEU . 46.9 t -96.46 154.04 17.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.828 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 39.7 m -155.3 83.98 1.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.238 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -86.05 110.68 19.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.267 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.561 ' HG2' HG22 ' B' ' 25' ' ' VAL . 91.3 mtt180 -108.03 137.77 45.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 111.702 -179.244 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.528 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -151.53 161.56 42.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.51 179.278 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.519 ' HD2' ' N ' ' B' ' 78' ' ' VAL . 3.2 tmm_? -134.4 135.63 42.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.53 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.519 ' N ' ' HD2' ' B' ' 77' ' ' ARG . 56.1 t -59.33 108.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.969 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.551 ' HB2' ' HB2' ' B' ' 49' ' ' LYS . . . -92.31 -47.89 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.404 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.47 171.82 14.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.715 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 52.4 p -69.01 -165.03 0.06 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.718 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.71 159.11 12.38 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.682 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -110.79 112.15 23.81 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.897 0.379 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.05 -168.11 1.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.955 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -161.98 115.61 1.84 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.762 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.466 HD22 HD11 ' B' ' 88' ' ' LEU . 5.7 mt -63.08 135.51 57.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.685 0.279 . . . . 0.0 110.718 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.613 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 23.6 mt-10 -136.45 111.65 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.002 -179.48 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.598 ' HB2' ' HB2' ' B' ' 104' ' ' PHE . 4.9 mp -134.34 168.49 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.45 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 13.2 m -148.88 134.17 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.982 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -87.4 85.16 7.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.407 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.749 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 16.4 ptm180 -139.62 -173.2 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.32 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.601 ' HG2' ' HA ' ' B' ' 36' ' ' PHE . 78.7 mtt180 -91.56 151.08 42.17 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.563 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 93' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 5.3 Cg_exo -74.21 -22.79 16.31 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.908 2.405 . . . . 0.0 113.502 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 94' ' ' TRP . . . . . 0.53 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 27.5 p90 -98.53 30.26 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.603 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -127.95 115.47 18.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -69.35 -62.07 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.123 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -137.0 96.42 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.26 130.54 15.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.452 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 37.8 mt-10 -53.28 121.81 27.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 100' ' ' PRO . . . . . 0.749 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 55.7 Cg_endo -94.16 -178.01 0.61 Allowed 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.325 2.683 . . . . 0.0 112.877 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.82 -69.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.687 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -99.69 -169.87 1.81 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.149 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 39.4 m -167.97 157.44 9.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.083 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.598 ' HB2' ' HB2' ' B' ' 88' ' ' LEU . 17.1 m-85 -139.0 139.99 38.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.067 0.46 . . . . 0.0 111.517 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 105' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' B' ' 86' ' ' LEU . 78.7 p -174.39 82.82 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.485 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 106' ' ' CYS . . . . . 0.592 ' HA ' ' HB3' ' B' ' 13' ' ' CYS . 96.6 m -114.84 145.73 41.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.089 0.471 . . . . 0.0 111.466 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.01 143.98 39.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.215 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 68.7 mt -147.44 118.83 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.649 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 109' ' ' GLN . . . . . 0.429 ' NE2' ' HB3' ' B' ' 15' ' ' PRO . 76.8 mt-30 -129.62 163.92 25.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.901 0.381 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.715 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 25.6 t -133.59 157.43 42.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.742 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.447 ' N ' HG12 ' B' ' 110' ' ' VAL . 21.0 tpt180 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.054 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 66.9 t . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.663 0.268 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 m -68.64 161.91 27.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.336 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 56.5 tp -145.76 159.02 43.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.699 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -163.15 -61.3 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -71.09 142.16 50.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.83 -17.67 24.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -73.66 -30.78 63.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.0 -1.24 47.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 84.3 m -81.8 120.45 25.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.015 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.507 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 19.5 m -155.54 161.08 30.21 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.426 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 28.5 Cg_endo -63.18 78.06 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.278 1.986 . . . . 0.0 111.645 179.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.465 HD12 ' H ' ' B' ' 17' ' ' LYS . 47.1 tp -97.46 142.06 29.77 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.43 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.465 ' H ' HD12 ' B' ' 16' ' ' LEU . 14.1 mptt -74.24 141.0 45.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.13 0.49 . . . . 0.0 110.925 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.519 ' H ' ' HA ' ' B' ' 110' ' ' VAL . 3.9 mp -126.97 -163.72 1.28 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.789 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.2 t -161.09 141.87 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.469 ' H ' ' NE2' ' B' ' 20' ' ' GLN . 1.3 mp0 -58.25 119.06 6.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.507 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.487 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 134.28 6.4 2.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.01 -179.259 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -124.37 160.33 28.37 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -135.92 -164.54 1.56 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.228 0.537 . . . . 0.0 112.134 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' B' ' 75' ' ' ARG . 5.2 tp -157.81 147.36 19.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.911 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 15.9 t -148.56 107.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.567 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -109.28 143.06 39.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.829 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 59.3 m -138.31 117.37 12.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.402 ' HB3' ' HD2' ' B' ' 29' ' ' PRO . 81.1 mt -120.67 157.6 53.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' B' ' 28' ' ' LEU . 74.3 Cg_endo -76.27 130.18 11.81 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.476 2.118 . . . . 0.0 112.225 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.406 ' HB3' ' HE1' ' B' ' 38' ' ' TRP . 82.4 p -165.87 124.75 1.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -77.21 119.61 78.19 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.723 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.28 164.34 36.07 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.563 2.175 . . . . 0.0 112.461 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' THR . . . . . 0.564 ' H ' HH12 ' B' ' 37' ' ' ARG . 69.2 p 49.81 26.01 1.76 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.502 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 90.3 m -97.77 -64.06 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.04 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.46 -47.11 0.32 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.618 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -92.66 104.54 16.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.954 0.406 . . . . 0.0 111.241 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.564 HH12 ' H ' ' B' ' 33' ' ' THR . 0.3 OUTLIER -103.61 -155.22 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.323 179.514 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.406 ' HE1' ' HB3' ' B' ' 30' ' ' SER . 93.3 m95 -128.89 115.68 18.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.67 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -97.0 147.91 23.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.529 HD23 ' HG ' ' B' ' 88' ' ' LEU . 85.1 mt -100.72 100.99 11.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.18 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -75.56 -13.44 60.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.974 0.416 . . . . 0.0 110.099 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.442 ' HB2' ' HB2' ' B' ' 87' ' ' GLU . 6.1 t30 -167.7 89.89 0.7 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.626 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.44 6.43 3.15 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.372 2.048 . . . . 0.0 112.523 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.3 26.27 10.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.65 -6.91 3.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.262 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 57.5 m -69.3 -34.6 74.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.054 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.469 HG23 ' HG ' ' B' ' 48' ' ' LEU . 31.4 m -127.63 -39.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.488 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.576 HD22 HG22 ' B' ' 78' ' ' VAL . 13.9 mt -88.63 125.71 34.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.746 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.466 ' NZ ' ' HB3' ' B' ' 49' ' ' LYS . 5.6 ttpm? -84.57 139.81 31.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.693 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 53.0 m -65.8 119.94 12.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 66.2 m -110.14 128.2 55.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -115.12 103.39 10.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.979 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' B' ' 24' ' ' LEU . 53.1 ttp180 -110.4 128.25 55.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -138.28 152.69 48.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.9 0.381 . . . . 0.0 111.406 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.487 ' NH2' ' HA2' ' B' ' 21' ' ' GLY . 7.4 tpt180 -130.44 144.24 51.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.326 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.576 HG22 HD22 ' B' ' 48' ' ' LEU . 40.1 t -87.89 115.24 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.891 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.63 -41.24 8.22 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.603 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -140.39 179.91 6.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.955 0.407 . . . . 0.0 111.336 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.743 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 74.7 m -86.44 -168.11 2.12 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.822 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 112.91 169.44 17.53 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.588 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -94.37 149.92 20.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.764 0.316 . . . . 0.0 110.73 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -167.38 170.79 11.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.708 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -155.69 108.49 2.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.411 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.413 ' HG ' HD11 ' B' ' 88' ' ' LEU . 11.4 tp -65.19 123.99 20.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.948 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.442 ' HB2' ' HB2' ' B' ' 42' ' ' ASN . 36.0 mt-10 -117.18 125.63 51.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.529 ' HG ' HD23 ' B' ' 40' ' ' LEU . 5.3 mp -133.35 149.47 51.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.685 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.437 HG21 ' HE ' ' B' ' 91' ' ' ARG . 27.8 m -140.8 158.95 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.967 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 90' ' ' TYR . . . . . 0.553 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 36.8 t80 -110.03 102.91 11.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.03 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.492 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 22.6 ptt180 -166.67 178.51 5.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.815 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -61.67 134.87 93.98 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.572 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -83.45 29.36 0.55 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.859 2.373 . . . . 0.0 114.849 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' TRP . . . . . 0.42 ' CZ3' ' HG2' ' B' ' 95' ' ' GLU . 31.4 p-90 -130.53 -12.98 3.86 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.22 0.533 . . . . 0.0 109.704 178.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 95' ' ' GLU . . . . . 0.42 ' HG2' ' CZ3' ' B' ' 94' ' ' TRP . 29.1 mt-10 -71.5 144.71 49.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.983 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 96' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' B' ' 96' ' ' LYS . 0.0 OUTLIER -91.51 -35.42 14.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.668 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -170.1 102.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.857 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.91 146.34 25.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 39.3 mt-10 -57.08 111.94 3.99 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.008 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 100' ' ' PRO . . . . . 0.492 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 1.9 Cg_endo -82.49 163.77 16.74 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.104 2.536 . . . . 0.0 112.195 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.82 -69.37 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.662 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.553 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 3.0 mm-40 -90.46 -164.37 1.16 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.946 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.1 p -175.96 166.63 3.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.059 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.485 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 44.2 t80 -162.72 149.66 13.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.766 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 79.3 p -167.8 141.58 3.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 93.2 m -149.45 134.19 17.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.5 147.34 27.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.231 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 80.0 mt -145.67 136.4 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -131.03 146.81 52.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.651 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.743 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 4.4 t -139.79 149.99 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.892 0.377 . . . . 0.0 111.117 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.845 179.824 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.465 0.316 0 CA-C-O 120.914 0.388 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' B' ' 25' ' ' VAL . 1.7 m -74.34 159.24 32.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.493 -179.769 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -160.17 -166.01 1.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.542 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -158.38 -38.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.247 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -73.11 123.73 24.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.907 -179.733 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.531 ' C ' ' H ' ' B' ' 12' ' ' ASP . . . -83.52 171.82 13.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.19 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 t70 64.07 -16.48 0.07 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.174 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' B' ' 10' ' ' ALA . 23.2 t70 -81.2 4.34 20.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.077 0.465 . . . . 0.0 110.215 179.645 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 74.5 m -79.71 -80.35 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.246 -179.652 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.587 ' O ' ' N ' ' B' ' 16' ' ' LEU . 12.5 p 65.7 162.33 0.13 Allowed Pre-proline 0 CA--C 1.522 -0.102 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.39 75.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.462 2.108 . . . . 0.0 112.466 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' B' ' 14' ' ' SER . 6.7 mt -54.72 170.56 0.16 Allowed 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.395 0.617 . . . . 0.0 111.891 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' B' ' 17' ' ' LYS . 11.5 mptt -115.64 87.7 2.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.41 179.803 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.442 ' HB2' HG22 ' B' ' 110' ' ' VAL . 9.8 mp -98.53 -174.6 2.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.382 -179.696 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.407 HG22 ' N ' ' B' ' 20' ' ' GLN . 13.1 m -163.05 157.31 20.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.953 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.515 ' HG2' ' HA ' ' B' ' 80' ' ' ALA . 19.5 mt-30 -51.15 99.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.766 179.758 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.43 20.55 1.75 Allowed Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.939 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.439 ' HB2' HG21 ' B' ' 78' ' ' VAL . 37.0 mm-40 -104.77 167.23 9.86 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.671 0.272 . . . . 0.0 110.273 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -141.77 117.5 10.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 -179.172 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 52.3 tp -96.89 114.21 25.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.871 178.59 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.568 HG13 ' HG2' ' B' ' 75' ' ' ARG . 20.7 t -118.24 158.31 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.023 -179.412 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.434 ' N ' HG12 ' B' ' 25' ' ' VAL . 67.5 tp -166.62 147.18 6.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.838 0.352 . . . . 0.0 111.028 179.777 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 73.7 m -138.84 132.09 29.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 89.2 mt -136.65 127.97 16.73 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.458 ' HA ' ' HG2' ' B' ' 71' ' ' GLU . 24.5 Cg_exo -63.56 146.31 92.61 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.507 2.138 . . . . 0.0 112.272 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 80.6 p -149.01 122.08 8.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.74 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -60.96 112.88 6.41 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.08 137.9 82.21 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.461 2.107 . . . . 0.0 112.268 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 33' ' ' THR . . . . . 0.604 ' H ' HH12 ' B' ' 37' ' ' ARG . 33.3 m 54.46 80.0 0.13 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.152 -179.831 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 67.3 m -141.3 -59.51 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.06 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.54 -51.04 0.5 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.024 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -94.24 110.39 22.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.301 0.572 . . . . 0.0 111.049 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.604 HH12 ' H ' ' B' ' 33' ' ' THR . 14.3 mmt180 -104.54 -154.11 0.5 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.155 179.35 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -117.92 111.7 19.35 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.822 179.298 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -102.32 133.78 46.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.159 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 tt -81.76 120.68 25.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.111 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.532 ' NE ' ' HA ' ' B' ' 41' ' ' ARG . 5.7 tpm_? -88.2 -66.85 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.043 -179.538 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.596 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 56.1 t30 -123.34 101.44 37.74 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.62 179.704 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.65 6.29 3.76 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.535 2.157 . . . . 0.0 112.993 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.37 26.61 3.19 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.754 0.312 . . . . 0.0 110.827 -179.637 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.31 -13.54 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.466 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 45.9 t -60.8 -27.55 68.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.451 HG23 ' HG ' ' B' ' 48' ' ' LEU . 20.4 m -130.65 -43.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.726 -179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.511 HD22 HG22 ' B' ' 78' ' ' VAL . 21.1 mt -80.15 161.43 25.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.78 0.324 . . . . 0.0 110.742 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.56 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . 77.8 tttt -118.38 142.77 47.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.804 -179.731 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.138 -179.937 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 71' ' ' GLU . . . . . 0.458 ' HG2' ' HA ' ' B' ' 29' ' ' PRO . 45.3 mt-10 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.837 0.351 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 78.6 p -141.36 157.66 44.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 52.9 m -142.85 143.05 31.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.184 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.422 ' O ' ' HA ' ' B' ' 25' ' ' VAL . 22.5 m-90 -126.83 131.6 51.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.82 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.568 ' HG2' HG13 ' B' ' 25' ' ' VAL . 71.6 mtm180 -144.66 117.12 8.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.748 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -131.21 135.53 47.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.835 0.35 . . . . 0.0 111.334 -179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -101.15 128.45 47.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.188 179.554 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.511 HG22 HD22 ' B' ' 48' ' ' LEU . 16.3 t -67.17 134.52 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.382 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.56 ' HB2' ' HB2' ' B' ' 49' ' ' LYS . . . -108.69 -37.04 6.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.302 -179.632 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.515 ' HA ' ' HG2' ' B' ' 20' ' ' GLN . . . -151.55 179.71 8.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.912 0.386 . . . . 0.0 111.335 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.752 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 5.3 p -84.22 -171.24 3.5 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.989 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 121.55 160.11 10.91 Favored Glycine 0 C--N 1.323 -0.186 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.327 -179.689 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.83 130.05 44.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.94 0.4 . . . . 0.0 111.252 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -154.33 -171.53 3.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.459 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -162.84 109.93 1.23 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.045 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 13.0 tp -63.32 124.11 20.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.462 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.596 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 16.5 mt-10 -117.96 129.19 55.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.087 0.47 . . . . 0.0 111.386 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.3 mp -137.41 145.65 43.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.146 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 5.7 m -139.88 149.15 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.023 0.439 . . . . 0.0 111.475 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 90' ' ' TYR . . . . . 0.538 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 60.5 t80 -94.49 94.01 7.97 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.8 -179.619 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.645 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 17.6 ptp180 -146.53 -173.75 4.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.504 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 99.1 mtt180 -84.42 122.48 75.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.372 179.713 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.54 -46.81 27.4 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.805 2.337 . . . . 0.0 113.316 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 94' ' ' TRP . . . . . 0.504 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 7.2 p90 -59.33 -18.82 41.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.642 -179.313 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -82.74 138.1 34.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.743 0.306 . . . . 0.0 110.884 179.647 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -77.62 -59.57 2.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -145.75 101.88 3.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.16 -179.31 5.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 179.802 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -89.0 110.12 35.66 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.992 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 100' ' ' PRO . . . . . 0.645 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 73.4 Cg_endo -75.76 162.22 35.48 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.595 2.197 . . . . 0.0 112.471 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.02 -48.2 10.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.192 0.52 . . . . 0.0 110.302 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.538 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 5.1 mm-40 -109.42 -162.1 0.79 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.884 179.421 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.4 p -176.61 159.46 1.87 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.208 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -154.18 143.02 21.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.654 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 56.1 m -157.89 140.32 14.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.162 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 67.6 m -149.78 127.14 11.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.048 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.66 142.83 33.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.558 179.681 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 108' ' ' ILE . . . . . 0.49 HD13 HD11 ' B' ' 48' ' ' LEU . 40.8 mt -135.54 112.52 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.967 0.413 . . . . 0.0 111.765 -179.596 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -110.19 107.55 17.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.642 179.223 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.752 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 10.8 t -98.88 154.81 3.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.985 0.421 . . . . 0.0 111.405 -179.691 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.624 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 27.9 tpt180 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.791 179.611 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.414 ' O ' HD12 ' B' ' 24' ' ' LEU . 1.7 p . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.91 0.386 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -75.78 162.64 28.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.435 -179.209 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 84.6 mt -140.19 160.11 40.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.051 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -148.88 6.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.636 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -164.92 146.69 7.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.826 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.415 ' HA ' ' SG ' ' B' ' 13' ' ' CYS . . . -71.59 -19.11 62.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.4 -179.695 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -63.78 -42.72 97.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.044 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -105.56 28.36 7.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.021 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.415 ' SG ' ' HA ' ' B' ' 10' ' ' ALA . 0.6 OUTLIER -46.58 -84.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.226 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' B' ' 107' ' ' ALA . 66.8 m -159.08 146.08 12.89 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.525 179.744 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -79.36 33.27 0.49 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.614 2.21 . . . . 0.0 113.238 -179.363 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' B' ' 109' ' ' GLN . 36.5 tp 60.45 -110.41 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.65 179.655 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.622 ' HA ' ' O ' ' B' ' 109' ' ' GLN . 80.3 mttt -30.97 103.03 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.634 179.252 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mp -126.92 -160.53 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.874 -179.648 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.473 ' HA ' HG13 ' B' ' 110' ' ' VAL . 23.4 m -157.35 147.47 20.77 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.113 0.482 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -59.16 158.16 9.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.431 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 106.97 6.46 34.45 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.961 179.751 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -127.95 152.47 47.85 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.894 0.378 . . . . 0.0 110.539 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.601 ' HG2' ' HD3' ' B' ' 77' ' ' ARG . 32.7 mt-10 -118.78 -171.23 2.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.442 -179.789 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.414 HD12 ' O ' ' B' ' 5' ' ' VAL . 7.9 tp -161.14 143.22 12.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.318 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.513 HG22 ' HG2' ' B' ' 75' ' ' ARG . 64.9 t -146.99 91.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.103 178.837 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.9 mt -63.85 158.21 22.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.313 -179.431 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 63.2 m -145.64 103.19 3.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.967 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 79.3 mt -130.02 142.64 46.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -80.93 121.0 3.92 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.566 2.177 . . . . 0.0 112.431 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 80.4 p -165.42 125.44 1.82 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 31' ' ' ASN . . . . . 0.486 ' HB2' HG23 ' B' ' 34' ' ' THR . 78.8 m-20 -93.72 137.09 23.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.777 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -78.72 16.0 1.36 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.694 2.263 . . . . 0.0 112.71 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 78.2 p -123.22 11.74 9.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.208 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.486 HG23 ' HB2' ' B' ' 31' ' ' ASN . 71.9 p -99.36 -59.86 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.242 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.89 -45.23 0.89 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.007 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -87.54 102.84 14.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.038 0.447 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.615 ' HB2' ' HG3' ' B' ' 93' ' ' PRO . 14.6 mmm180 -102.91 -156.59 0.57 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.793 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 38' ' ' TRP . . . . . 0.49 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 95.4 m95 -122.79 115.47 22.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.662 179.855 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -90.95 149.81 21.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.47 -179.411 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' B' ' 43' ' ' PRO . 68.6 tp -104.62 116.22 31.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.561 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -94.99 -60.55 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.385 -179.698 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.597 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 63.7 t30 -133.18 90.84 29.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.075 -179.716 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.598 ' HB3' HD21 ' B' ' 40' ' ' LEU . 58.1 Cg_endo -71.17 -0.48 8.1 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.618 2.212 . . . . 0.0 112.667 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.402 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 55.97 23.95 7.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.931 0.396 . . . . 0.0 110.449 -179.327 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.62 -15.81 5.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.415 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 55.0 m -59.41 -27.44 66.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.992 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.401 ' HA ' ' HB3' ' B' ' 80' ' ' ALA . 27.6 m -130.39 -11.25 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.468 -179.82 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.595 HD22 HG22 ' B' ' 78' ' ' VAL . 15.6 mt -113.35 112.34 23.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.868 0.366 . . . . 0.0 110.766 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -74.64 138.86 43.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.085 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.598 179.915 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 47.6 t -76.4 134.6 39.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.981 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 60.7 m -143.14 115.95 8.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.953 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -112.29 112.84 24.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.061 -179.876 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.513 ' HG2' HG22 ' B' ' 25' ' ' VAL . 72.4 mtm180 -105.2 133.55 49.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -144.93 155.02 43.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.909 0.385 . . . . 0.0 111.297 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.601 ' HD3' ' HG2' ' B' ' 23' ' ' GLU . 9.8 tpt180 -137.04 140.89 42.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.505 179.615 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.595 HG22 HD22 ' B' ' 48' ' ' LEU . 9.1 t -96.71 110.05 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.561 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.28 -3.87 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.76 -179.399 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.408 ' O ' HG21 ' B' ' 110' ' ' VAL . . . -130.38 150.87 51.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.107 0.479 . . . . 0.0 111.462 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.73 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 17.1 p -89.71 163.0 15.29 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.812 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 134.43 163.41 10.23 Favored Glycine 0 C--N 1.317 -0.489 0 CA-C-N 115.243 -0.89 . . . . 0.0 112.361 -179.785 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 83' ' ' ASP . . . . . 0.435 ' HA ' ' HG3' ' B' ' 109' ' ' GLN . 1.9 p-10 -95.16 120.78 35.97 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.864 0.364 . . . . 0.0 110.962 179.862 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -143.27 179.13 7.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -158.22 107.67 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.636 -179.701 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.483 ' CD1' ' HA ' ' B' ' 43' ' ' PRO . 59.8 tp -55.28 148.51 14.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.603 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.597 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 28.0 mt-10 -147.21 128.05 14.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.081 0.467 . . . . 0.0 111.946 -179.003 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.523 ' HB2' ' HB3' ' B' ' 104' ' ' PHE . 5.2 mp -144.69 154.61 42.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.334 178.772 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 22.6 m -141.16 168.25 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 179.805 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 90' ' ' TYR . . . . . 0.455 ' CB ' ' HB2' ' B' ' 102' ' ' GLU . 30.7 t80 -112.85 84.87 2.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.606 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.465 ' HE ' ' HG3' ' B' ' 100' ' ' PRO . 16.2 ptp180 -144.8 169.25 18.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.757 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.606 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 82.2 mtt180 -66.5 140.15 96.44 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.132 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 93' ' ' PRO . . . . . 0.615 ' HG3' ' HB2' ' B' ' 37' ' ' ARG . 3.9 Cg_exo -79.91 20.24 0.92 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.141 2.561 . . . . 0.0 114.954 -177.939 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 94' ' ' TRP . . . . . 0.457 ' CZ3' ' HG2' ' B' ' 95' ' ' GLU . 34.0 p-90 -127.07 -12.13 5.84 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.12 0.486 . . . . 0.0 109.944 179.253 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 95' ' ' GLU . . . . . 0.606 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 36.7 mt-10 -73.72 -45.2 53.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.027 -179.832 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 49.8 mttm 69.01 -9.88 0.55 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.483 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 97' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' B' ' 95' ' ' GLU . 16.8 t70 -176.88 94.46 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -153.65 -174.46 4.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.189 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -92.67 109.47 38.99 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.78 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 100' ' ' PRO . . . . . 0.465 ' HG3' ' HE ' ' B' ' 91' ' ' ARG . 4.0 Cg_endo -84.53 174.19 7.98 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.8 2.333 . . . . 0.0 112.288 -179.799 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.412 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -98.61 -37.5 9.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.79 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.455 ' HB2' ' CB ' ' B' ' 90' ' ' TYR . 23.1 mt-10 -116.07 -170.39 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.656 179.666 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.9 p -170.29 161.71 8.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.785 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 104' ' ' PHE . . . . . 0.523 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 3.2 t80 -154.12 147.62 25.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.749 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 81.3 p -169.55 117.91 0.62 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.802 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 106' ' ' CYS . . . . . 0.417 ' HB2' ' HB3' ' B' ' 86' ' ' LEU . 55.9 m -114.6 143.52 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.572 -179.717 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.479 ' C ' ' HA ' ' B' ' 16' ' ' LEU . . . -93.02 129.97 38.76 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.542 179.51 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 50.9 mt -149.08 107.25 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.293 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 109' ' ' GLN . . . . . 0.622 ' O ' ' HA ' ' B' ' 17' ' ' LYS . 29.1 tt0 -125.19 96.72 4.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.351 178.154 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.73 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 44.6 t -60.02 -95.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.471 -179.031 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.552 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 39.1 mmt180 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 121.215 0.531 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.426 HG23 ' O ' ' B' ' 25' ' ' VAL . 1.7 m -72.6 162.48 29.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.501 -179.427 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 42.1 mt -122.65 -171.59 2.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.949 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -167.65 -28.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -119.61 161.59 20.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.757 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.83 -34.06 11.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.564 -179.723 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.71 -18.95 65.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.064 -179.818 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -84.79 -8.24 58.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.006 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 52.8 m -87.34 155.55 20.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.319 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 30.4 m -164.63 158.85 15.33 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.425 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 15' ' ' PRO . . . . . 0.529 ' HB3' ' NE2' ' B' ' 109' ' ' GLN . 36.7 Cg_exo -60.09 79.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.374 2.049 . . . . 0.0 111.797 179.367 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.411 HD12 ' H ' ' B' ' 17' ' ' LYS . 60.4 tp -98.69 150.95 21.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.465 -179.306 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.411 ' H ' HD12 ' B' ' 16' ' ' LEU . 14.3 mptt -93.84 142.82 26.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.842 179.346 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.666 ' HB2' HG22 ' B' ' 110' ' ' VAL . 11.0 mp -118.33 -168.02 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.843 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 51.2 m -142.02 133.76 27.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -56.03 109.36 0.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.681 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.45 -33.13 1.7 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.679 -179.828 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -86.47 -169.5 2.67 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.619 0.247 . . . . 0.0 110.479 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.544 ' HB3' ' HD3' ' B' ' 77' ' ' ARG . 10.5 pt-20 -156.52 -176.28 5.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.134 0.492 . . . . 0.0 111.589 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 35.1 tp -147.97 149.86 32.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.631 179.469 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.426 ' O ' HG23 ' B' ' 6' ' ' THR . 73.6 t -134.91 148.08 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.729 179.655 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 90.5 mt -128.21 137.73 52.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.071 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.6 m -139.7 122.28 16.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.3 mt -137.67 148.15 60.0 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.08 131.79 43.49 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.553 2.169 . . . . 0.0 112.429 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 81.6 p -168.56 114.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.794 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -98.95 142.93 25.45 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -78.01 1.62 8.74 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.639 2.226 . . . . 0.0 112.48 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 78.6 p -100.4 4.03 43.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.273 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 73.0 p -102.09 -64.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.209 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.29 -35.79 2.44 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.066 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -76.03 97.97 4.18 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.929 0.395 . . . . 0.0 111.078 179.757 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -92.0 -153.74 0.35 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.177 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -126.08 107.13 10.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.332 . . . . 0.0 111.062 179.797 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -83.56 124.76 31.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.694 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.08 123.23 21.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 -179.728 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -102.36 -40.59 6.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.666 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.586 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 8.4 t30 -154.5 92.34 2.96 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.777 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.82 9.17 2.78 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.547 2.165 . . . . 0.0 112.654 -179.72 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.23 25.22 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.99 -11.17 5.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 -179.881 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 53.4 m -64.58 -32.21 73.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.492 HG23 ' HG ' ' B' ' 48' ' ' LEU . 28.3 m -123.28 -45.84 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.497 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.501 HD22 HG22 ' B' ' 78' ' ' VAL . 14.0 mt -81.84 144.73 30.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 110.182 179.846 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.582 ' HZ3' ' HB3' ' B' ' 77' ' ' ARG . 5.6 ttpm? -86.64 127.74 34.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.844 -179.706 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.293 -179.7 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.834 0.349 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 47.7 t -94.68 114.65 26.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.784 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 71.6 m -129.5 109.57 11.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.83 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -101.62 144.53 30.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -136.11 130.25 33.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.2 -179.818 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -137.63 120.21 16.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.609 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.582 ' HB3' ' HZ3' ' B' ' 49' ' ' LYS . 10.2 tpp180 -94.99 124.08 38.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.501 HG22 HD22 ' B' ' 48' ' ' LEU . 21.4 t -61.7 127.68 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.768 179.841 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -119.98 -36.69 3.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.804 -179.412 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -141.32 174.3 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.949 0.404 . . . . 0.0 111.496 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.677 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 8.6 p -84.35 -169.77 2.77 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.176 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.95 157.65 11.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.543 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -88.5 152.49 21.84 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.646 0.26 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.436 ' OD2' ' HB ' ' B' ' 108' ' ' ILE . 10.0 p-10 -167.43 -175.72 2.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -166.13 106.05 0.68 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.742 -179.827 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.517 ' HG ' HD12 ' B' ' 108' ' ' ILE . 13.2 mt -59.53 137.94 57.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.034 0.445 . . . . 0.0 111.043 -179.696 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.586 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 12.2 mt-10 -137.91 113.44 9.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.78 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.419 ' N ' HD12 ' B' ' 88' ' ' LEU . 5.2 mp -128.05 117.1 21.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.898 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.493 HG11 ' NH2' ' B' ' 91' ' ' ARG . 10.0 p -104.73 160.12 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.74 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 90' ' ' TYR . . . . . 0.547 ' HB2' ' HB2' ' B' ' 102' ' ' GLU . 0.3 OUTLIER -74.08 -88.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.248 179.867 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.493 ' NH2' HG11 ' B' ' 89' ' ' VAL . 7.3 mtm180 48.48 -165.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.956 0.408 . . . . 0.0 111.602 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.417 ' HB2' ' HG2' ' B' ' 95' ' ' GLU . 73.0 mtt180 -124.98 151.3 68.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.427 179.651 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.5 -15.45 49.7 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.722 2.281 . . . . 0.0 113.291 -179.403 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 94' ' ' TRP . . . . . . . . . . . . . 38.8 p90 -111.42 24.31 12.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.757 0.313 . . . . 0.0 111.597 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 95' ' ' GLU . . . . . 0.417 ' HG2' ' HB2' ' B' ' 92' ' ' ARG . 11.7 mm-40 -123.14 106.53 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.078 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -84.75 102.56 13.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.687 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 56.42 82.75 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.041 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.83 172.13 13.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 41.2 mt-10 -57.94 109.64 1.94 Allowed Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 100' ' ' PRO . . . . . 0.45 ' HA ' ' HG3' ' B' ' 91' ' ' ARG . 5.1 Cg_exo -80.46 160.96 22.53 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.083 2.522 . . . . 0.0 112.552 -179.677 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.51 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -99.84 -69.28 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.701 179.598 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.547 ' HB2' ' HB2' ' B' ' 90' ' ' TYR . 19.7 mt-10 -97.26 -174.7 3.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.789 179.492 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 42.9 t -167.15 174.68 8.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -172.57 122.55 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.777 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 87.6 p -132.06 118.58 19.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.624 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 29.6 t -123.71 129.29 50.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.187 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -79.0 139.54 38.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.699 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 108' ' ' ILE . . . . . 0.517 HD12 ' HG ' ' B' ' 86' ' ' LEU . 65.6 mt -146.7 135.24 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.267 -179.367 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 109' ' ' GLN . . . . . 0.529 ' NE2' ' HB3' ' B' ' 15' ' ' PRO . 76.5 mt-30 -141.59 149.95 41.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.312 179.264 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.677 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 11.6 t -137.14 153.47 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.908 0.385 . . . . 0.0 111.263 -179.779 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.602 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 19.2 tpt180 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.786 179.466 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 39.7 t . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 121.071 0.462 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.41 HG22 ' N ' ' B' ' 7' ' ' LEU . 3.1 m -80.09 163.76 23.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.002 -179.895 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.486 HD12 HD21 ' B' ' 24' ' ' LEU . 11.7 mt -134.52 -176.59 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.166 0.508 . . . . 0.0 111.311 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -169.65 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.289 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -148.59 157.44 43.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.352 179.509 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.6 98.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.196 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -142.92 -63.83 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.005 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.22 -69.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 -179.745 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.48 ' HB2' ' HB3' ' B' ' 106' ' ' CYS . 0.8 OUTLIER -75.16 123.59 25.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.063 -179.93 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.688 ' H ' ' HD2' ' B' ' 15' ' ' PRO . 7.4 p 179.48 -41.23 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.855 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 15' ' ' PRO . . . . . 0.688 ' HD2' ' H ' ' B' ' 14' ' ' SER . 88.1 Cg_endo -82.03 17.24 1.58 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.047 1.831 . . . . 0.0 113.164 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.72 ' HG ' ' HB1' ' B' ' 107' ' ' ALA . 3.8 mp 60.44 -83.4 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.366 0.603 . . . . 0.0 111.275 179.642 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' B' ' 16' ' ' LEU . 52.8 mtpt -25.83 118.15 0.07 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.103 -1.408 . . . . 0.0 112.102 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 tp -149.07 -159.62 1.06 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.298 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -155.74 153.36 29.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.432 ' HG3' HG11 ' B' ' 110' ' ' VAL . 23.9 mt-30 -62.12 166.88 4.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.25 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.39 -22.69 5.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.423 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 22' ' ' GLN . . . . . 0.471 ' O ' HG23 ' B' ' 78' ' ' VAL . 0.0 OUTLIER -71.24 112.19 7.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.87 0.367 . . . . 0.0 111.395 -179.8 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.421 ' HB3' ' HG2' ' B' ' 77' ' ' ARG . 0.2 OUTLIER -101.66 159.52 15.24 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.793 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.507 HD23 ' N ' ' B' ' 25' ' ' VAL . 5.0 tt -153.75 138.96 17.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.156 0.503 . . . . 0.0 111.803 -179.23 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' B' ' 74' ' ' TRP . 61.5 t -117.0 119.66 62.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.383 179.307 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.653 ' HB2' ' HB2' ' B' ' 74' ' ' TRP . 65.1 mt -97.88 170.21 9.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.149 0.5 . . . . 0.0 111.699 -179.151 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.407 ' C ' ' HG ' ' B' ' 28' ' ' LEU . 86.2 m -135.54 94.45 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.219 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.823 ' H ' ' HD2' ' B' ' 29' ' ' PRO . 6.3 mt -146.33 -53.18 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.942 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.823 ' HD2' ' H ' ' B' ' 28' ' ' LEU . 27.4 Cg_exo -30.83 137.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 123.201 2.601 . . . . 0.0 113.505 -179.257 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.7 t -145.56 122.01 11.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.855 -179.541 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 31' ' ' ASN . . . . . 0.441 ' N ' ' HD3' ' B' ' 32' ' ' PRO . 0.6 OUTLIER -136.63 50.93 4.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.398 179.686 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 32' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' B' ' 31' ' ' ASN . 92.3 Cg_endo -81.7 105.95 1.6 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.557 2.171 . . . . 0.0 111.602 179.392 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 4.8 m 63.32 9.15 3.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.171 0.51 . . . . 0.0 110.035 -178.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.408 HG22 ' NH1' ' B' ' 37' ' ' ARG . 58.1 p 57.19 163.48 0.03 OUTLIER 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.023 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.87 -28.72 4.58 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.698 -179.475 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -140.78 118.86 11.93 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.846 0.355 . . . . 0.0 110.372 179.587 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.408 ' NH1' HG22 ' B' ' 34' ' ' THR . 2.1 mmm180 -125.29 -164.28 1.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.061 -179.573 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -121.38 153.96 37.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.36 179.204 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -127.47 138.45 52.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.868 0.366 . . . . 0.0 111.128 -179.894 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' B' ' 43' ' ' PRO . 91.4 mt -94.9 104.73 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.784 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.532 ' HB2' ' HB3' ' B' ' 87' ' ' GLU . 31.2 mmm180 -76.39 -18.41 58.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.58 179.788 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.463 ' O ' ' HA ' ' B' ' 86' ' ' LEU . 4.5 t30 -175.19 86.88 0.31 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.57 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.482 ' HB3' HD13 ' B' ' 40' ' ' LEU . 67.3 Cg_endo -73.41 4.49 3.87 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.578 2.186 . . . . 0.0 112.711 -179.726 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.89 22.46 5.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.923 -179.715 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.77 -11.18 2.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 -179.787 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -62.23 -31.5 72.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.041 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.406 HG11 ' HA3' ' B' ' 82' ' ' GLY . 35.8 m -127.69 -9.17 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.682 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.682 HD22 HG22 ' B' ' 78' ' ' VAL . 13.8 mt -112.63 148.63 34.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -103.33 143.27 32.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 -179.788 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.639 179.708 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.926 0.393 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.3 m 53.66 84.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.342 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 73' ' ' THR . . . . . 0.607 ' H ' ' HG2' ' B' ' 29' ' ' PRO . 82.2 m -159.85 131.75 6.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.464 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.653 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 9.7 m95 -137.68 141.03 41.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.438 179.225 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -122.71 112.32 17.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.849 0.357 . . . . 0.0 111.223 -179.795 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -132.75 114.98 14.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.421 ' HG2' ' HB3' ' B' ' 23' ' ' GLU . 2.9 tmm_? -116.88 129.13 55.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.379 179.685 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.682 HG22 HD22 ' B' ' 48' ' ' LEU . 18.3 t -71.12 126.19 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.264 -179.637 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -130.74 -9.33 3.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.647 -179.747 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -139.75 154.35 47.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.936 0.398 . . . . 0.0 111.332 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.616 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 10.9 p -89.16 165.4 14.5 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 82' ' ' GLY . . . . . 0.406 ' HA3' HG11 ' B' ' 47' ' ' VAL . . . 134.59 170.1 12.14 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.586 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -99.28 127.33 45.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.339 . . . . 0.0 111.058 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -149.87 175.88 11.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -149.75 111.77 4.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.784 -179.608 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.463 ' HA ' ' O ' ' B' ' 42' ' ' ASN . 58.1 tp -63.52 152.0 39.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.963 0.411 . . . . 0.0 111.007 -179.694 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.532 ' HB3' ' HB2' ' B' ' 41' ' ' ARG . 67.5 mm-40 -151.68 134.23 15.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.337 -179.159 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 mp -146.26 145.54 30.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.057 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.447 HG23 ' HG2' ' B' ' 91' ' ' ARG . 28.2 m -144.63 150.76 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.618 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 90' ' ' TYR . . . . . 0.664 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 15.4 t80 -94.61 101.57 13.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.977 0.418 . . . . 0.0 111.299 -179.409 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.447 ' HG2' HG23 ' B' ' 89' ' ' VAL . 37.8 ptt180 -169.17 154.23 5.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.569 179.8 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.622 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 80.0 mtt180 -58.8 145.43 78.55 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.517 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 93' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 5.2 Cg_exo -76.95 -25.01 9.35 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.129 2.553 . . . . 0.0 114.014 -178.676 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 94' ' ' TRP . . . . . 0.476 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 28.5 p90 -93.83 14.99 17.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.913 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 95' ' ' GLU . . . . . 0.622 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 38.6 mt-10 -92.17 131.16 37.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 179.622 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -88.89 97.03 10.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 56.4 89.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.06 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.09 143.85 38.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.09 115.89 33.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.47 146.85 28.01 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.511 2.141 . . . . 0.0 112.363 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 101' ' ' ALA . . . . . 0.462 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -65.7 -59.5 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.606 179.738 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.664 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 19.6 mt-10 -99.43 -175.54 3.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.727 179.549 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 38.4 t -165.32 162.83 19.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -168.59 157.82 8.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.763 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 97.2 p -168.75 151.64 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.006 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 106' ' ' CYS . . . . . 0.48 ' HB3' ' HB2' ' B' ' 13' ' ' CYS . 1.5 m -145.11 164.17 32.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.264 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.72 ' HB1' ' HG ' ' B' ' 16' ' ' LEU . . . -113.98 131.98 56.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.009 -179.567 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 31.3 mt -143.72 111.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.416 . . . . 0.0 111.577 -179.778 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -135.8 98.19 3.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.185 179.51 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.616 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 32.7 t -60.99 -93.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.476 -179.103 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.511 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 40.7 mmt180 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.019 179.696 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.413 ' O ' ' HG ' ' B' ' 24' ' ' LEU . 40.6 t . . . . . 0 N--CA 1.461 0.09 0 CA-C-O 120.789 0.328 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.87 153.67 25.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.209 -179.535 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 64.1 tp -140.27 150.79 44.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.669 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -142.71 -32.18 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.004 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -89.87 178.86 6.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.88 -21.26 4.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.159 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -78.54 -16.83 57.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -86.12 10.31 14.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 36.1 m -93.65 152.32 19.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.928 0.394 . . . . 0.0 111.325 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 16.6 t -174.05 150.18 1.57 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.269 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -55.97 86.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.187 1.924 . . . . 0.0 111.825 179.555 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.429 HD12 ' H ' ' B' ' 17' ' ' LYS . 59.2 tp -100.57 152.25 20.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.49 -179.342 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.429 ' H ' HD12 ' B' ' 16' ' ' LEU . 19.5 mttp -101.79 94.18 5.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.677 179.482 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.548 ' HB2' HG22 ' B' ' 110' ' ' VAL . 10.1 mp -67.66 -168.41 0.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 29.8 m -136.3 145.32 45.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -73.92 98.48 3.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.89 -19.42 0.66 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.41 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -99.32 -168.64 1.64 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.74 0.305 . . . . 0.0 110.737 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.608 ' HG2' ' HG2' ' B' ' 77' ' ' ARG . 25.2 mt-10 -145.94 -158.05 0.86 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.871 0.367 . . . . 0.0 111.217 -179.813 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' B' ' 5' ' ' VAL . 8.4 tt -177.98 139.52 0.22 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.585 179.007 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.41 ' N ' HD23 ' B' ' 24' ' ' LEU . 69.0 t -132.78 141.66 44.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.433 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 63.4 tp -118.43 138.73 52.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.708 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 63.7 m -136.21 113.74 10.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.304 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -144.73 150.93 48.45 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.793 179.838 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.568 ' HA ' ' HA ' ' B' ' 71' ' ' GLU . 52.1 Cg_exo -54.79 132.71 53.39 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.618 2.212 . . . . 0.0 112.028 179.885 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 51.0 p -142.63 -28.52 0.58 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.655 -179.595 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 31' ' ' ASN . . . . . 0.626 ' N ' ' HD3' ' B' ' 32' ' ' PRO . 85.2 m-20 -130.92 44.77 1.48 Allowed Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.69 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 32' ' ' PRO . . . . . 0.626 ' HD3' ' N ' ' B' ' 31' ' ' ASN . 34.5 Cg_exo -56.76 -39.0 94.49 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.02 1.813 . . . . 0.0 111.088 178.685 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 64.9 p -143.6 10.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.353 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 32.2 p 60.1 150.46 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.917 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.19 -18.89 6.48 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.12 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -143.11 115.23 8.36 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.71 0.29 . . . . 0.0 110.836 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -107.96 -167.14 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.973 0.416 . . . . 0.0 111.463 179.752 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -114.38 158.06 22.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.824 179.466 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -128.65 117.35 21.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.493 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' B' ' 43' ' ' PRO . 96.1 mt -75.67 96.21 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.703 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -80.08 -14.59 58.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.09 179.35 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.586 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 54.2 t-20 -171.3 81.04 0.51 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 43' ' ' PRO . . . . . 0.477 ' HB3' HD13 ' B' ' 40' ' ' LEU . 61.3 Cg_endo -72.47 12.22 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.674 2.249 . . . . 0.0 112.717 -179.671 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.48 ' HA ' ' OD1' ' B' ' 84' ' ' ASP . . . 56.74 22.59 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.19 -8.59 5.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -70.83 -31.12 67.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.094 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.536 HG23 ' HG ' ' B' ' 48' ' ' LEU . 26.1 m -123.18 -44.94 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.66 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.612 HD11 HG21 ' B' ' 108' ' ' ILE . 17.3 mt -88.69 120.11 29.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.973 0.416 . . . . 0.0 110.728 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.489 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . 75.9 tttt -58.72 148.89 27.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.076 -179.852 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 71' ' ' GLU . . . . . 0.568 ' HA ' ' HA ' ' B' ' 29' ' ' PRO . 47.1 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.812 0.339 . . . . 0.0 110.79 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 39.2 t -137.55 172.19 13.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.752 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 62.0 m -151.64 114.48 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.21 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 11.6 m-90 -115.94 117.72 30.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.688 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -101.9 137.83 39.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -141.22 134.44 29.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 77' ' ' ARG . . . . . 0.608 ' HG2' ' HG2' ' B' ' 23' ' ' GLU . 4.2 tmt_? -118.52 132.02 56.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.233 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.529 HG22 HD22 ' B' ' 48' ' ' LEU . 21.6 t -71.05 115.29 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.169 -179.425 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.489 ' HB2' ' HB2' ' B' ' 49' ' ' LYS . . . -105.1 -23.98 12.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.996 -179.37 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.63 179.33 8.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.135 0.493 . . . . 0.0 111.698 -179.753 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.686 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 5.9 p -85.19 -168.78 2.35 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.013 -179.847 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.71 156.2 11.32 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.562 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 83' ' ' ASP . . . . . 0.431 ' HB3' HE21 ' B' ' 109' ' ' GLN . 3.4 p30 -95.15 146.67 24.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.762 0.315 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.48 ' OD1' ' HA ' ' B' ' 44' ' ' ALA . 6.0 t70 -165.6 -178.53 4.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.787 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -156.33 113.95 3.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.947 -179.782 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.587 HD22 HD11 ' B' ' 88' ' ' LEU . 3.6 mt -62.02 139.07 58.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.826 179.724 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.586 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 27.4 mt-10 -139.02 116.51 11.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.057 -179.571 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.587 HD11 HD22 ' B' ' 86' ' ' LEU . 5.3 mp -132.66 120.96 22.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.747 179.749 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 23.0 m -116.09 139.29 43.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.141 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 90' ' ' TYR . . . . . 0.54 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 6.2 t80 -86.6 109.55 19.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.016 -179.469 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.458 ' NH2' ' H ' ' B' ' 98' ' ' ALA . 13.4 ptm180 -167.82 157.2 9.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 92' ' ' ARG . . . . . 0.561 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 99.4 mtt180 -64.61 125.19 88.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.521 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 93' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 24.5 Cg_exo -63.87 -26.72 67.19 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.779 2.319 . . . . 0.0 113.215 -179.165 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 94' ' ' TRP . . . . . 0.43 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 13.3 p90 -81.05 18.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.571 0.224 . . . . 0.0 111.484 -179.472 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 95' ' ' GLU . . . . . 0.561 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 46.5 mt-10 -97.25 171.74 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 111.051 179.69 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 96' ' ' LYS . . . . . 0.463 ' HG3' ' OD1' ' B' ' 97' ' ' ASP . 52.7 tptt -128.31 95.76 4.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 97' ' ' ASP . . . . . 0.463 ' OD1' ' HG3' ' B' ' 96' ' ' LYS . 3.0 p30 41.37 86.15 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.607 -179.479 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.458 ' H ' ' NH2' ' B' ' 91' ' ' ARG . . . -139.79 -178.3 5.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.817 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -84.04 132.42 48.24 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.085 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 100' ' ' PRO . . . . . 0.407 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 88.2 Cg_endo -94.77 176.31 1.04 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.215 2.61 . . . . 0.0 112.673 -179.703 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.09 -60.84 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.737 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.54 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 22.4 mt-10 -99.64 -173.6 2.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.566 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 79.0 p -166.32 151.25 8.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.606 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -147.6 134.94 20.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.008 0.432 . . . . 0.0 111.191 -179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 77.5 p -148.69 104.89 3.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.582 179.691 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 8.3 t -114.44 136.05 53.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.094 -179.565 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.51 134.32 34.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 108' ' ' ILE . . . . . 0.612 HG21 HD11 ' B' ' 48' ' ' LEU . 63.4 mt -144.77 124.27 6.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 -179.389 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 109' ' ' GLN . . . . . 0.431 HE21 ' HB3' ' B' ' 83' ' ' ASP . 51.0 mt-30 -135.75 153.0 51.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.519 179.464 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.686 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 18.8 t -142.55 153.56 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.373 . . . . 0.0 111.169 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 111' ' ' ARG . . . . . 0.601 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 22.4 tpt180 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.838 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 50.0 tpp . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.746 0.308 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -148.95 -3.74 0.3 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.444 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 54.8 m -73.82 117.02 15.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.762 0.315 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 47.7 t -101.98 -14.65 17.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 58.34 -171.73 0.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -122.54 173.79 7.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 66.1 m80 58.37 -172.61 0.1 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.049 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -127.5 147.93 50.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -103.49 162.05 13.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.956 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -78.15 119.11 21.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.6 p -147.05 -21.82 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 80.2 p -93.4 -39.59 10.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.965 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 65.34 74.16 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 73.6 mt -99.45 -2.17 36.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.789 0.328 . . . . 0.0 110.986 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 17.5 m -105.49 148.02 35.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.207 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.26 124.24 14.78 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.471 2.114 . . . . 0.0 112.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -4' ' ' ARG . . . . . 0.489 ' HE ' ' HA ' ' B' ' -4' ' ' ARG . 3.3 mmp_? -122.53 -1.01 9.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.037 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -119.9 31.01 5.49 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.53 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 49.3 m -144.38 152.87 41.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.791 0.329 . . . . 0.0 110.937 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -131.39 127.51 37.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 26.1 mmt -93.75 128.42 39.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLN . . . . . 0.408 ' HB3' ' HD3' ' B' ' 2' ' ' LYS . 65.0 tt0 -149.99 -34.49 0.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.808 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.503 ' N ' ' HD3' ' B' ' 2' ' ' LYS . 1.9 mppt? -95.23 159.47 32.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.701 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.521 ' HD2' HE21 ' B' ' 22' ' ' GLN . 13.8 Cg_exo -66.56 -52.76 0.7 Allowed 'Trans proline' 0 CA--C 1.512 -0.604 0 C-N-CA 123.175 2.584 . . . . 0.0 111.503 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.451 ' O ' HG12 ' B' ' 5' ' ' VAL . 8.6 m -141.2 -45.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 114.072 -1.422 . . . . 0.0 110.963 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.506 ' O ' HG13 ' B' ' 5' ' ' VAL . 0.3 OUTLIER 52.16 8.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 179.56 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.499 HG23 ' O ' ' B' ' 25' ' ' VAL . 0.3 OUTLIER -160.54 158.02 28.43 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.261 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 61.2 tp -165.05 110.19 0.92 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.744 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.503 ' HA ' HD21 ' B' ' 28' ' ' LEU . 4.5 p30 -120.0 -41.07 2.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -64.19 143.53 57.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.48 13.15 30.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -95.11 -38.43 10.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -84.83 45.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.499 ' HB3' ' HA ' ' B' ' 106' ' ' CYS . 94.8 m -75.6 12.8 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.408 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 44.3 m -59.68 160.85 12.95 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.553 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 29.8 Cg_endo -63.59 75.89 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.272 1.981 . . . . 0.0 111.577 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.8 130.4 45.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.278 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.411 ' O ' HD12 ' B' ' 18' ' ' LEU . 4.0 mptp? -83.36 138.65 33.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.799 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.509 ' HB2' HG22 ' B' ' 110' ' ' VAL . 7.9 mp -123.5 -174.23 2.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.004 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 43.6 m -155.58 137.35 14.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.84 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -60.71 100.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 133.68 23.54 0.71 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.72 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.521 HE21 ' HD2' ' B' ' 3' ' ' PRO . 0.0 OUTLIER -130.44 133.77 46.59 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.733 179.809 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.71 -179.58 3.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.405 0.621 . . . . 0.0 111.795 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' B' ' 76' ' ' PHE . 28.5 tp -161.49 81.77 0.6 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.685 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.566 HG13 ' HG2' ' B' ' 75' ' ' ARG . 18.5 t -95.12 87.63 2.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.03 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 76.0 mt -57.53 160.58 4.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.253 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 62.5 m -152.6 108.61 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.76 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.503 HD21 ' HA ' ' B' ' 8' ' ' ASP . 78.2 mt -131.42 148.29 69.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.99 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.05 137.89 22.19 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.47 2.113 . . . . 0.0 112.353 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 75.9 p -159.76 159.17 32.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -125.5 102.23 29.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.51 2.42 5.18 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.504 2.136 . . . . 0.0 112.39 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 7.6 t -91.78 -6.2 52.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 62.3 p -101.0 -66.27 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.333 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.21 -28.52 1.68 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.04 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -84.29 105.15 14.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.907 0.384 . . . . 0.0 110.88 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -103.16 -163.2 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.017 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -109.54 107.9 18.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.639 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.0 133.37 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.982 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.581 HD21 ' HB3' ' B' ' 43' ' ' PRO . 54.6 tp -89.98 109.57 20.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.674 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -93.99 -73.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.081 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.546 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 49.5 t-20 -109.61 92.42 12.06 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.581 ' HB3' HD21 ' B' ' 40' ' ' LEU . 91.9 Cg_endo -79.59 13.61 2.05 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.533 2.155 . . . . 0.0 112.661 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.416 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 56.58 28.62 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.987 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.63 -8.53 2.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.42 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -63.67 -34.57 78.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.207 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.432 HG23 ' HG ' ' B' ' 48' ' ' LEU . 33.6 m -127.87 -36.88 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.562 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.582 HD22 HG22 ' B' ' 78' ' ' VAL . 12.6 mt -88.71 133.96 34.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.829 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -101.66 138.61 38.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.016 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -87.11 148.2 25.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 80.4 mt -75.56 -67.07 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -168.24 161.79 35.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.574 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.32 -35.24 85.2 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.662 2.242 . . . . 0.0 112.342 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -63.82 113.08 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -133.3 11.88 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -116.74 125.44 51.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 56.0 m -76.46 132.7 39.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -77.7 -35.12 52.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 54.3 m -88.49 -178.73 5.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -141.3 119.59 12.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -118.59 -65.07 1.21 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.834 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -94.77 10.44 35.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 77.9 p 49.11 91.83 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.447 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.23 72.57 2.61 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.114 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 63.7 mt -139.58 98.53 3.51 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.176 0.512 . . . . 0.0 110.734 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.7 p -77.05 -23.5 14.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.59 36.03 0.47 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.513 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 72.5 p -155.13 1.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.07 -133.14 11.57 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.423 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.33 165.58 46.38 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.336 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -143.92 175.21 10.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.359 . . . . 0.0 110.78 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 81.3 p -95.12 128.91 42.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 67.2 m -141.85 110.6 6.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.971 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 13.8 m-90 -108.87 113.29 26.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.566 ' HG2' HG13 ' B' ' 25' ' ' VAL . 96.4 mtt180 -100.29 115.76 30.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.55 ' HB2' ' HB3' ' B' ' 24' ' ' LEU . 80.3 m-85 -117.91 166.47 12.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -147.98 133.31 18.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.56 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.582 HG22 HD22 ' B' ' 48' ' ' LEU . 48.2 t -79.44 141.34 15.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.347 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -131.58 -41.79 1.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.178 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -131.66 166.82 20.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.696 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 73.0 m -93.7 -170.18 2.28 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.162 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.23 161.47 11.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.446 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -81.44 153.4 26.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.771 0.319 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -171.16 178.53 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -150.82 132.35 14.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.447 ' HG ' HD11 ' B' ' 88' ' ' LEU . 10.5 tp -92.31 136.82 32.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.588 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.546 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 10.6 mt-10 -138.01 123.97 20.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.952 0.406 . . . . 0.0 111.412 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.447 HD11 ' HG ' ' B' ' 86' ' ' LEU . 5.0 mp -140.64 133.17 28.6 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.506 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 28.1 m -116.44 167.96 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.196 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' TYR . . . . . 0.446 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 42.9 t80 -111.62 101.15 9.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.427 ' HB3' ' HA ' ' B' ' 100' ' ' PRO . 37.7 ptt180 -166.34 173.34 10.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.49 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 99.3 mtt180 -66.42 118.83 57.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.528 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 39.8 Cg_exo -61.61 -25.16 78.89 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.759 2.306 . . . . 0.0 113.124 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 94' ' ' TRP . . . . . 0.424 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 13.7 p90 -81.35 4.84 19.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.672 0.272 . . . . 0.0 111.517 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.49 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 39.7 mt-10 -100.11 -179.17 4.06 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -143.54 115.26 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.048 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 56.49 26.6 11.09 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.7 -172.85 0.29 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -101.13 99.98 12.11 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' PRO . . . . . 0.427 ' HA ' ' HB3' ' B' ' 91' ' ' ARG . 73.6 Cg_endo -76.11 138.46 20.47 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.486 2.124 . . . . 0.0 112.616 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.48 -61.44 1.83 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.771 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.446 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 19.8 mt-10 -96.61 -174.16 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.54 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 44.9 t -163.67 172.22 14.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.286 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -169.09 141.25 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 78.6 p -173.07 111.31 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 111.068 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' CYS . . . . . 0.499 ' HA ' ' HB3' ' B' ' 13' ' ' CYS . 56.6 m -124.35 164.9 18.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.01 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.14 155.12 18.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.188 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 78.8 mt -147.16 140.97 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.633 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -147.24 121.89 9.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.645 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.696 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 17.1 t -103.89 154.13 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.024 0.44 . . . . 0.0 111.188 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.148 -0.929 . . . . 0.0 110.905 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.754 0.311 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 89.31 179.0 45.47 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.499 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 78.9 p -90.95 109.94 21.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.92 0.39 . . . . 0.0 110.822 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 79.2 p -162.73 146.94 11.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -93.74 129.3 40.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.764 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -121.26 130.87 53.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -85.26 130.56 34.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -142.86 -38.94 0.34 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.8 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -91.7 146.29 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -128.07 140.32 52.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.5 p -85.55 -16.79 38.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 53.2 m -85.77 159.51 19.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 119.95 -81.92 0.34 Allowed Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.52 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 72.1 mt 58.14 -172.28 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.762 0.315 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -6' ' ' VAL . . . . . 0.43 HG13 ' O ' ' B' ' -6' ' ' VAL . 2.9 p -134.83 91.69 20.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.93 -175.73 0.31 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -4' ' ' ARG . . . . . 0.476 ' HD3' ' H ' ' B' ' -4' ' ' ARG . 0.0 OUTLIER -137.93 144.83 41.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -121.56 120.16 4.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.633 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 47.6 t -110.0 -59.15 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -154.5 -30.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.784 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 4.0 mpp? 59.0 99.51 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.215 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -148.48 112.06 5.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.869 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' B' ' 22' ' ' GLN . 70.7 mmtt -133.88 150.22 73.93 Favored Pre-proline 0 CA--C 1.518 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.564 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.455 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 77.9 Cg_exo -53.55 -29.44 49.94 Favored 'Trans proline' 0 CA--C 1.506 -0.888 0 C-N-CA 122.513 2.142 . . . . 0.0 109.906 178.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.546 HG22 ' HB2' ' B' ' 23' ' ' GLU . 6.1 t -156.14 77.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 113.839 -1.528 . . . . 0.0 110.487 178.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 98.6 t -55.16 103.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.692 0.282 . . . . 0.0 110.467 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -77.11 161.24 28.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.263 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 62.6 tp -151.49 147.41 26.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -145.15 -29.32 0.45 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -128.68 128.92 45.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.1 96.52 0.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -134.65 -55.9 0.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.975 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -76.91 -8.96 58.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.666 ' HB3' ' HA ' ' B' ' 106' ' ' CYS . 77.5 m -79.46 103.6 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.524 ' HB3' ' HD3' ' B' ' 15' ' ' PRO . 44.0 t -179.12 -49.15 0.0 OUTLIER Pre-proline 0 CA--C 1.531 0.246 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.726 ' C ' HD23 ' B' ' 16' ' ' LEU . 95.0 Cg_endo -83.8 4.15 7.18 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.339 2.026 . . . . 0.0 113.968 -178.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.726 HD23 ' C ' ' B' ' 15' ' ' PRO . 0.4 OUTLIER 39.53 19.8 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.542 ' HG2' ' HG2' ' B' ' 15' ' ' PRO . 43.6 pttt -78.85 105.08 9.91 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.508 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -126.83 -168.03 1.81 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.023 0.44 . . . . 0.0 111.852 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 82.6 m -165.76 142.92 5.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.83 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.622 ' HG2' HG12 ' B' ' 78' ' ' VAL . 94.7 mt-30 -66.29 131.05 45.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.825 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.494 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 117.85 18.44 5.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.482 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' B' ' 2' ' ' LYS . 18.2 mt-30 -131.33 145.99 52.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.699 0.285 . . . . 0.0 110.586 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.596 ' HG2' ' HB2' ' B' ' 77' ' ' ARG . 43.8 mt-10 -117.88 -175.64 2.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.139 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.459 HD23 ' N ' ' B' ' 25' ' ' VAL . 7.2 tt -164.7 140.86 5.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.072 0.463 . . . . 0.0 111.457 179.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.459 ' N ' HD23 ' B' ' 24' ' ' LEU . 58.5 t -134.35 94.27 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.545 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.1 tp -81.29 146.25 30.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.184 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.8 m -154.68 102.82 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 88.6 mt -106.37 148.84 37.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -79.51 132.69 10.15 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.589 2.192 . . . . 0.0 112.361 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.1 p -139.91 -179.86 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.908 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ASN . . . . . 0.415 ' ND2' HG23 ' B' ' 34' ' ' THR . 51.6 t30 -141.28 96.45 7.1 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.791 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -58.31 -19.42 42.73 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.502 2.135 . . . . 0.0 112.268 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 55.9 m -59.79 -33.87 72.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.415 HG23 ' ND2' ' B' ' 31' ' ' ASN . 71.6 p -81.21 -63.65 1.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.219 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.13 -24.55 3.25 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.047 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -77.04 98.59 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.933 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.427 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -100.24 -160.25 0.79 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.037 179.286 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.427 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 90.3 m95 -114.9 130.79 56.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.809 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -111.98 141.84 45.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -92.05 104.69 17.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.987 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -84.73 -14.57 47.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.772 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.597 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 55.4 t-20 -169.32 85.87 0.62 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.721 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -78.08 11.69 2.25 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.584 2.189 . . . . 0.0 112.674 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.415 ' C ' ' H ' ' B' ' 46' ' ' SER . . . 55.18 35.88 25.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.29 11.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.564 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.415 ' H ' ' C ' ' B' ' 44' ' ' ALA . 42.9 t -92.94 -24.5 18.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.208 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 32.8 m -136.31 -35.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.717 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.512 HD11 HG21 ' B' ' 108' ' ' ILE . 85.4 mt -86.92 147.78 25.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.991 0.424 . . . . 0.0 111.182 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.477 ' O ' HD23 ' B' ' 51' ' ' LEU . 0.3 OUTLIER -124.28 -162.15 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.391 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.494 ' HB2' ' HB3' ' B' ' 77' ' ' ARG . 6.9 mmt180 66.9 8.85 6.37 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.725 0.298 . . . . 0.0 111.159 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.477 HD23 ' O ' ' B' ' 49' ' ' LYS . 0.2 OUTLIER -64.03 149.22 47.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.769 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.06 157.48 27.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.78 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -66.77 -165.72 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.785 2.323 . . . . 0.0 112.263 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.71 158.72 31.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 47.9 t -130.67 110.39 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.17 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -141.35 -68.55 0.39 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.837 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.433 ' H ' ' H ' ' B' ' 58' ' ' ASN . 46.5 t -163.32 -5.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.433 ' H ' ' H ' ' B' ' 57' ' ' SER . 3.4 p-10 -83.25 -26.95 30.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.966 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 53.5 m -92.94 -69.55 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.419 ' HG2' ' HA3' ' B' ' 64' ' ' GLY . 45.5 mt-10 58.87 98.8 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -89.43 -66.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -102.23 -29.59 11.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 40.7 t -163.79 -21.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.782 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.419 ' HA3' ' HG2' ' B' ' 60' ' ' GLU . . . 61.55 40.66 99.02 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.196 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 57.0 mt -138.84 97.48 3.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.165 0.507 . . . . 0.0 110.56 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -110.44 -28.47 2.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.963 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.09 -141.11 3.58 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.377 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 75.3 p -88.27 -25.33 22.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.339 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 130.67 47.05 0.14 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.558 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -169.65 41.15 0.21 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.585 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -141.04 111.32 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 45.1 t -73.69 166.87 22.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 65.9 m -144.44 125.35 14.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 111.168 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 7.9 m-90 -125.44 137.7 54.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.698 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.444 ' HG2' HG22 ' B' ' 25' ' ' VAL . 94.4 mtt180 -131.67 147.03 52.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' B' ' 49' ' ' LYS . 1.1 m-85 -148.64 173.28 13.36 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.487 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.596 ' HB2' ' HG2' ' B' ' 23' ' ' GLU . 6.3 tpt180 -163.94 130.02 3.08 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.676 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.622 HG12 ' HG2' ' B' ' 20' ' ' GLN . 23.2 t -66.43 122.1 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.577 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.33 0.67 1.72 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.837 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -153.22 155.62 36.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.933 0.397 . . . . 0.0 111.586 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.719 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 12.1 p -87.86 164.09 16.07 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.877 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 131.2 161.94 10.41 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.677 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ASP . . . . . 0.405 ' HA ' ' HG3' ' B' ' 109' ' ' GLN . 3.6 p30 -93.9 135.63 35.03 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.827 0.346 . . . . 0.0 111.039 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -152.58 179.66 8.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.107 0.48 . . . . 0.0 111.225 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -160.81 111.77 1.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.78 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.616 HD22 HD11 ' B' ' 88' ' ' LEU . 2.1 mt -62.04 140.27 58.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.742 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.597 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 29.0 mt-10 -138.85 116.35 11.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.221 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.616 HD11 HD22 ' B' ' 86' ' ' LEU . 5.0 mp -129.71 108.94 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.678 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 33.2 m -98.62 171.02 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 111.266 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' TYR . . . . . 0.543 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 37.0 t80 -122.0 101.98 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.93 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -164.47 177.06 8.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.484 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 98.9 mtt180 -65.15 123.11 83.15 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.633 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 93' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 3.0 Cg_exo -73.34 -11.49 24.78 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.89 2.393 . . . . 0.0 113.119 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' TRP . . . . . 0.484 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 34.5 p90 -99.32 15.16 27.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.35 . . . . 0.0 111.043 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -117.74 145.27 44.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.043 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -91.94 95.05 9.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.6 t70 57.51 95.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.41 171.25 14.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.445 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 39.6 mt-10 -68.4 112.77 12.02 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 100' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 99' ' ' GLU . 7.8 Cg_endo -88.61 139.24 3.97 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.148 2.566 . . . . 0.0 112.365 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.448 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -69.58 -60.37 2.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.668 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.543 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 19.3 mt-10 -101.18 -175.52 2.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.673 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 33.7 t -166.04 161.45 17.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.946 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -159.01 150.1 20.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.823 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 79.9 p -163.88 147.81 10.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' CYS . . . . . 0.666 ' HA ' ' HB3' ' B' ' 13' ' ' CYS . 8.8 m -142.49 139.51 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.448 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' B' ' 16' ' ' LEU . . . -84.39 127.97 34.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.042 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ILE . . . . . 0.512 HG21 HD11 ' B' ' 48' ' ' LEU . 25.4 mt -143.57 134.02 21.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.946 0.403 . . . . 0.0 111.513 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' GLN . . . . . 0.497 ' HB2' HD12 ' B' ' 16' ' ' LEU . 26.6 tt0 -160.52 144.72 14.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.873 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.719 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 5.1 t -118.0 164.88 13.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.685 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.577 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 5.2 mpt_? . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.179 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 57.9 ttp . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.838 0.352 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -163.26 159.79 32.35 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.51 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 54.4 m -96.98 -177.86 4.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.779 0.323 . . . . 0.0 110.94 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 40.7 t -75.9 169.3 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 63.1 m80 -64.68 148.72 50.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -102.61 -24.01 13.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.712 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -133.18 123.98 26.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.78 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -142.23 124.35 15.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.768 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -90.51 145.42 24.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 64.7 m80 -89.55 139.95 30.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 52.2 m -94.34 -29.46 15.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.2 t -144.43 -27.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 68.3 -150.82 51.31 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.451 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 55.0 tp -91.6 112.15 23.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.918 0.389 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 93.4 t -130.17 105.55 16.4 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.967 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.64 137.78 66.77 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.513 2.142 . . . . 0.0 112.428 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -98.07 -54.73 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 143.64 137.97 3.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.54 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 47.1 t -89.05 138.78 31.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -101.2 143.35 31.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.442 ' HG3' ' HG2' ' B' ' 1' ' ' GLN . 49.7 tpp -137.88 158.7 43.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.66 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLN . . . . . 0.442 ' HG2' ' HG3' ' B' ' 0' ' ' MET . 8.0 mm100 61.77 102.13 0.03 OUTLIER 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.639 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.501 ' HB2' HG22 ' B' ' 5' ' ' VAL . 57.2 mtpt -118.97 143.69 34.33 Favored Pre-proline 0 CA--C 1.518 -0.269 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 51.7 Cg_exo -56.6 -23.88 50.96 Favored 'Trans proline' 0 CA--C 1.508 -0.795 0 C-N-CA 122.487 2.125 . . . . 0.0 110.225 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.635 HG12 HG22 ' B' ' 25' ' ' VAL . 15.4 t -153.84 72.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 114.042 -1.435 . . . . 0.0 110.119 178.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.54 ' O ' HD12 ' B' ' 24' ' ' LEU . 84.9 t -49.3 107.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.736 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.653 HG23 HG23 ' B' ' 25' ' ' VAL . 5.0 m -83.68 164.47 19.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.068 0.461 . . . . 0.0 111.629 -179.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.473 ' N ' HG22 ' B' ' 6' ' ' THR . 59.7 mt -141.09 -176.19 4.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.444 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -166.46 -26.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.302 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -142.75 162.02 36.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.009 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.02 -38.53 20.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.482 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -56.72 -30.59 63.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.62 -25.41 41.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.974 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 90.4 m -64.6 131.02 45.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.506 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 20.0 m -147.35 161.43 36.18 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.423 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 19.0 Cg_endo -59.12 82.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.334 2.023 . . . . 0.0 111.85 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 42.7 tp -81.13 163.4 23.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.116 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.497 ' HD3' ' H ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -109.27 81.36 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.798 179.779 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 mp -71.8 -170.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.284 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.8 t -171.88 155.03 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.928 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -54.59 105.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.727 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 141.55 -16.1 2.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.326 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -100.3 165.83 11.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.663 0.268 . . . . 0.0 110.431 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.606 ' HB2' HG22 ' B' ' 4' ' ' VAL . 44.8 mt-10 -141.71 -161.23 1.19 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.835 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.54 HD12 ' O ' ' B' ' 5' ' ' VAL . 1.7 tp -159.85 151.4 19.95 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.281 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.653 HG23 HG23 ' B' ' 6' ' ' THR . 0.8 OUTLIER -141.87 89.26 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.629 178.805 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.43 ' HB2' ' HB2' ' B' ' 74' ' ' TRP . 97.8 mt -65.16 146.8 54.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.6 m -142.65 127.07 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.811 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.616 ' N ' HD13 ' B' ' 28' ' ' LEU . 0.0 OUTLIER -149.93 163.8 23.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.957 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -82.93 119.24 2.83 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 123.038 2.492 . . . . 0.0 112.018 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 80.3 p -161.1 -173.98 4.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.998 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ASN . . . . . 0.455 ' HB3' ' HD2' ' B' ' 32' ' ' PRO . 77.4 m-20 -130.49 159.03 72.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.549 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' B' ' 31' ' ' ASN . 43.0 Cg_endo -65.13 -150.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.583 2.189 . . . . 0.0 112.191 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' THR . . . . . 0.402 ' H ' ' HB2' ' B' ' 32' ' ' PRO . 73.9 p -56.26 83.84 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 111.265 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.451 ' N ' ' O ' ' B' ' 32' ' ' PRO . 56.3 p -120.61 -62.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.154 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.36 -60.44 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.645 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -93.38 114.37 26.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 111.273 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -113.51 -159.64 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.22 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -121.05 122.11 39.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.917 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -100.12 150.24 22.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.733 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 97.8 mt -95.52 100.67 12.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.191 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.447 HH11 ' NH2' ' B' ' 91' ' ' ARG . 24.2 mmm180 -71.86 -25.14 61.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.398 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.595 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 59.8 t30 -169.77 91.62 0.53 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.572 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -73.68 14.63 0.62 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.592 2.195 . . . . 0.0 112.746 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.416 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 54.18 27.52 7.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.936 0.398 . . . . 0.0 111.085 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.63 -11.51 3.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.403 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 44.9 t -62.18 -37.0 83.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.042 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.463 HG23 ' HG ' ' B' ' 48' ' ' LEU . 27.9 m -125.87 -42.26 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.474 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.547 HD22 HG22 ' B' ' 78' ' ' VAL . 15.7 mt -83.53 162.45 20.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.628 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -121.25 144.67 48.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -80.51 120.17 24.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.7 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 20.9 tp -55.06 -65.65 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.017 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -153.22 -179.61 28.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.699 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -78.6 -46.59 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.752 2.302 . . . . 0.0 112.575 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -116.54 175.7 5.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.934 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.465 HG21 ' HB ' ' B' ' 73' ' ' THR . 27.4 m -135.71 13.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.137 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -100.84 6.03 43.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -128.24 -12.85 5.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -69.53 172.65 6.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 53.3 m -65.34 -30.21 71.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 60.16 108.23 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.203 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -66.88 -69.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.763 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -92.65 141.58 28.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.613 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 72.0 p -62.36 96.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.09 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.8 69.86 3.02 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.085 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 40.4 mt -136.82 96.76 3.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.13 0.49 . . . . 0.0 110.687 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 7.6 p -83.59 -28.92 7.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.046 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -161.27 -114.57 0.34 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.536 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 75.6 p -89.26 -24.62 22.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.357 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 134.73 171.15 12.4 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.52 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.64 41.23 0.95 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.431 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -124.3 126.41 46.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.772 0.32 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 49.4 m -87.96 112.29 22.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.465 ' HB ' HG21 ' B' ' 55' ' ' VAL . 61.4 m -112.56 121.41 44.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.43 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 78.4 m95 -101.6 113.86 27.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.825 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.61 ' HG2' HG12 ' B' ' 25' ' ' VAL . 72.9 mtp180 -101.43 127.72 47.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -135.24 141.49 45.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.482 ' HA ' ' HG2' ' B' ' 23' ' ' GLU . 8.5 tpp180 -121.85 136.19 54.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.562 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.547 HG22 HD22 ' B' ' 48' ' ' LEU . 62.1 t -75.65 128.3 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.829 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -112.84 -39.64 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.654 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -135.48 156.99 48.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.803 0.335 . . . . 0.0 111.222 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.463 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 28.8 p -73.97 -174.12 1.77 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.89 156.39 13.4 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.495 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ASP . . . . . 0.481 ' HA ' ' HA ' ' B' ' 109' ' ' GLN . 3.8 p30 -90.68 147.05 23.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.804 0.335 . . . . 0.0 111.247 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -162.61 -172.57 3.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.591 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -156.0 119.1 4.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.161 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.477 ' HG ' HD12 ' B' ' 108' ' ' ILE . 11.9 mt -70.44 140.45 51.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.746 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.595 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 18.6 mt-10 -136.04 118.92 16.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.5 mp -131.16 153.4 49.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.607 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.449 HG22 ' N ' ' B' ' 90' ' ' TYR . 8.5 p -141.81 156.39 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.065 0.459 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' TYR . . . . . 0.48 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 61.8 t80 -105.68 109.66 21.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.887 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.463 ' HD3' ' HB3' ' B' ' 100' ' ' PRO . 38.3 ptt180 -169.51 176.97 4.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.415 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 97.4 mtt180 -61.63 127.7 89.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.377 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.97 -23.0 19.02 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.553 2.168 . . . . 0.0 113.377 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' TRP . . . . . 0.415 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 6.5 p90 -80.33 -13.34 59.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.655 0.264 . . . . 0.0 111.383 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -84.11 145.35 28.47 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.753 0.311 . . . . 0.0 111.067 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -92.72 -45.72 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.731 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -152.89 102.19 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.762 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.69 -170.38 3.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -89.96 108.11 23.71 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' PRO . . . . . 0.463 ' HB3' ' HD3' ' B' ' 91' ' ' ARG . 70.7 Cg_endo -74.39 -175.95 2.49 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.587 2.191 . . . . 0.0 112.361 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -112.59 -64.49 1.29 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.228 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.48 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 5.3 mm-40 -100.68 -163.78 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.267 0.556 . . . . 0.0 112.051 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 79.2 p -169.34 155.94 6.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.612 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -163.31 116.96 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.909 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 80.0 p -134.09 150.84 51.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 71.8 m -146.5 151.58 37.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -94.68 140.07 30.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.27 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ILE . . . . . 0.502 HG21 HD11 ' B' ' 48' ' ' LEU . 95.9 mt -145.53 117.64 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.037 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' B' ' 83' ' ' ASP . 25.8 mt-30 -126.88 141.31 51.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.745 HG12 ' H ' ' B' ' 111' ' ' ARG . 2.2 t -120.23 178.58 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.384 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.745 ' H ' HG12 ' B' ' 110' ' ' VAL . 33.3 mmt180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.162 -0.923 . . . . 0.0 111.774 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.914 0.388 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 153.84 -33.92 0.74 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.44 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 47.3 t -140.27 154.47 46.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 53.7 m -145.79 4.95 1.01 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -140.53 142.76 35.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -150.84 146.09 26.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.712 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -75.51 97.68 3.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.994 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 64.31 135.7 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.338 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -89.81 144.51 25.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 47.6 t60 60.69 102.69 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 53.6 m -142.49 -51.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.8 t -92.04 143.04 26.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 76.65 136.14 0.69 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.529 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 90.1 mt -73.89 -69.67 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 57.9 t -134.09 87.5 34.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -61.49 -47.49 11.53 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.573 2.182 . . . . 0.0 112.132 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -62.95 132.46 52.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -89.03 -172.2 46.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.443 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 34.9 t 59.34 17.36 5.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.931 0.396 . . . . 0.0 111.093 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -78.42 -50.21 12.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.469 ' HG3' ' HG3' ' B' ' 1' ' ' GLN . 15.9 tpt -81.95 -65.71 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.83 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLN . . . . . 0.469 ' HG3' ' HG3' ' B' ' 0' ' ' MET . 54.5 mt-30 -118.38 -156.25 0.64 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.697 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' B' ' 22' ' ' GLN . 0.0 OUTLIER -127.04 158.51 68.67 Favored Pre-proline 0 C--N 1.332 -0.165 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.258 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.586 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 81.5 Cg_exo -51.06 -19.32 5.7 Favored 'Trans proline' 0 CA--C 1.507 -0.856 0 C-N-CA 123.208 2.605 . . . . 0.0 110.827 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.542 ' HA ' ' O ' ' B' ' 23' ' ' GLU . 2.3 p -165.42 92.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 114.037 -1.438 . . . . 0.0 110.946 178.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.652 HG23 HD12 ' B' ' 24' ' ' LEU . 25.4 m -86.21 172.19 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.122 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.05 170.15 10.46 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.987 0.422 . . . . 0.0 111.818 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 64.6 tp -164.02 148.95 10.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.689 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -142.57 -48.33 0.34 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.045 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -80.51 -179.7 7.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.36 -1.95 3.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.26 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -82.54 -32.0 28.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -84.88 -0.58 54.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 31.8 m -62.31 149.65 41.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.047 0.451 . . . . 0.0 111.266 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 34.2 t -170.58 147.74 2.59 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.275 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.54 83.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.345 2.03 . . . . 0.0 111.893 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' B' ' 109' ' ' GLN . 13.8 mt -76.3 178.5 6.44 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.55 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -131.1 90.67 2.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.424 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.535 ' HB2' HG22 ' B' ' 110' ' ' VAL . 10.3 mp -70.59 -170.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.975 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.0 m -146.59 138.66 24.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.048 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -58.73 97.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.802 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.448 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 153.07 -39.4 0.72 Allowed Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.005 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.538 ' HA ' ' HA ' ' B' ' 3' ' ' PRO . 59.3 mt-30 -86.7 -167.92 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.711 ' HB2' ' HA ' ' B' ' 77' ' ' ARG . 3.3 pt-20 -173.49 -164.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.391 -0.524 . . . . 0.0 112.133 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.652 HD12 HG23 ' B' ' 5' ' ' VAL . 0.2 OUTLIER -156.37 150.98 25.78 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.231 179.526 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.651 ' N ' ' HG ' ' B' ' 24' ' ' LEU . 73.5 t -129.06 115.0 34.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.588 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.469 ' HG ' HD21 ' B' ' 24' ' ' LEU . 90.5 mt -88.09 157.82 18.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.283 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 87.3 m -158.35 107.51 2.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . 86.9 mt -126.99 142.48 43.8 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.944 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 28' ' ' LEU . 21.0 Cg_exo -65.54 148.29 87.41 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.671 2.247 . . . . 0.0 112.262 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 63.1 p -169.47 117.56 0.62 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -87.96 113.59 55.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.18 -0.53 8.73 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.45 2.1 . . . . 0.0 112.415 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 56.1 m -72.85 -29.93 63.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 51.9 p -82.7 -67.42 0.79 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.308 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.1 -32.6 1.88 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.172 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -70.56 98.21 1.44 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.996 0.427 . . . . 0.0 110.878 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.452 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 14.9 mmm180 -93.84 -160.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.111 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.452 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 95.4 m95 -115.13 124.23 50.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.875 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -109.95 134.12 52.44 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.433 HD23 ' HG ' ' B' ' 88' ' ' LEU . 96.0 mt -83.43 100.2 10.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -74.29 -20.82 60.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.553 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.571 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 61.5 t30 -168.65 92.6 0.6 Allowed Pre-proline 0 CA--C 1.529 0.168 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.739 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -78.56 12.42 2.16 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.644 2.229 . . . . 0.0 112.806 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.525 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 53.52 32.5 14.32 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.812 0.339 . . . . 0.0 110.737 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.26 -17.34 1.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.896 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.421 ' HB3' ' OD1' ' B' ' 84' ' ' ASP . 39.4 t -59.05 -23.93 62.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.394 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 m -137.68 -27.13 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.525 HD12 ' HB3' ' B' ' 44' ' ' ALA . 79.7 mt -94.51 155.4 16.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.817 0.342 . . . . 0.0 110.999 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.509 ' HA ' ' HE3' ' B' ' 49' ' ' LYS . 0.2 OUTLIER -135.4 -155.96 0.68 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.551 179.842 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.595 ' HG3' ' HB2' ' B' ' 77' ' ' ARG . 3.4 mmp_? 59.57 13.86 3.6 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.065 0.459 . . . . 0.0 111.083 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.472 ' H ' ' HG ' ' B' ' 51' ' ' LEU . 1.2 mt -74.87 106.72 6.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.891 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.99 161.13 13.91 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.65 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -86.19 -54.64 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.943 2.429 . . . . 0.0 112.793 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -87.71 170.81 10.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.141 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 29.5 m -133.24 11.24 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.259 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -144.51 139.76 28.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.0 t -155.52 -79.61 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.455 ' H ' ' H ' ' B' ' 59' ' ' SER . 3.5 p-10 -171.78 -8.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' SER . . . . . 0.455 ' H ' ' H ' ' B' ' 58' ' ' ASN . 54.4 m -86.94 12.63 10.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -62.66 98.55 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -85.75 -71.32 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.827 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -84.24 132.49 34.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.616 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 51.6 m -62.19 95.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.06 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.402 ' O ' HD23 ' B' ' 65' ' ' LEU . . . -93.72 68.68 1.5 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.051 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.402 HD23 ' O ' ' B' ' 64' ' ' GLY . 22.2 mt -132.28 94.59 3.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.139 0.495 . . . . 0.0 110.721 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.3 p -98.61 145.58 9.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.18 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.96 -132.95 11.34 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 74.8 p -90.33 -30.42 17.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.745 0.307 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 153.07 133.15 1.84 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.97 128.63 0.16 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.24 -178.12 7.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 111.079 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 58.0 m -99.77 143.64 29.76 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.121 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 59.3 m -146.3 121.99 10.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.404 ' HB3' ' CE1' ' B' ' 76' ' ' PHE . 7.9 m-90 -125.08 153.67 42.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.444 ' HD2' ' HB3' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -150.16 116.76 5.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.77 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.549 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 0.2 OUTLIER -121.05 145.77 47.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.025 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.711 ' HA ' ' HB2' ' B' ' 23' ' ' GLU . 2.9 tmt_? -114.88 138.71 50.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.742 0.306 . . . . 0.0 110.936 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.535 ' N ' ' HD3' ' B' ' 77' ' ' ARG . 61.5 t -61.98 108.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.063 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.446 ' HB2' ' HB2' ' B' ' 49' ' ' LYS . . . -85.89 -59.01 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -142.09 -177.36 5.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.117 0.484 . . . . 0.0 111.42 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.572 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 58.5 m -84.48 174.18 10.25 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.981 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.2 158.49 9.82 Favored Glycine 0 N--CA 1.453 -0.227 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.449 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -94.59 132.06 39.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 111.268 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.421 ' OD1' ' HB3' ' B' ' 46' ' ' SER . 4.0 m-20 -148.12 -178.33 6.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -156.39 118.77 4.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.56 ' HG ' HD12 ' B' ' 108' ' ' ILE . 17.0 mt -67.56 142.29 56.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.996 0.427 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.571 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 25.5 mt-10 -135.68 106.88 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.663 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.466 ' N ' HD12 ' B' ' 88' ' ' LEU . 5.4 mp -119.17 115.3 23.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.767 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 35.1 m -107.7 138.86 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' TYR . . . . . 0.537 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 56.2 t80 -87.12 101.18 13.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.82 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.544 ' HD3' ' HG3' ' B' ' 100' ' ' PRO . 40.3 ptt180 -163.89 -175.6 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -78.61 114.05 39.98 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.574 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.48 -29.22 45.15 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.623 2.215 . . . . 0.0 113.171 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' TRP . . . . . . . . . . . . . 7.9 p90 -71.03 -5.33 30.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.581 0.229 . . . . 0.0 111.311 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -96.6 160.85 14.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 0.0 110.956 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -91.16 -58.28 2.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -140.81 108.05 5.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.51 146.18 31.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.026 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.424 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 7.0 pt-20 -59.91 111.59 4.13 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 100' ' ' PRO . . . . . 0.544 ' HG3' ' HD3' ' B' ' 91' ' ' ARG . 3.0 Cg_exo -74.22 139.86 27.05 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.666 2.244 . . . . 0.0 112.206 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.15 -58.95 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.719 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.537 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 5.2 mm-40 -104.23 -161.89 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.388 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' SER . . . . . 0.413 ' H ' ' HB3' ' B' ' 102' ' ' GLU . 80.2 p -171.83 153.53 3.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.975 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -153.36 143.3 22.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.981 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 80.0 p -159.88 137.86 10.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.622 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 8.4 t -142.81 138.95 30.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.997 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.29 133.08 38.9 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.151 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ILE . . . . . 0.56 HD12 ' HG ' ' B' ' 86' ' ' LEU . 96.3 mt -146.04 106.02 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.252 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' B' ' 16' ' ' LEU . 82.7 mt-30 -119.63 170.85 8.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.757 0.313 . . . . 0.0 110.779 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.572 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 21.7 t -141.72 155.61 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.736 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.433 ' N ' HG12 ' B' ' 110' ' ' VAL . 24.0 tpt180 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.395 -0.812 . . . . 0.0 110.983 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.848 0.356 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -152.5 -110.66 0.45 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.594 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 51.9 m -93.3 155.55 17.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 80.0 p -144.59 -12.6 0.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -105.39 -35.05 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -107.02 118.34 36.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -129.98 178.97 6.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -95.06 4.07 54.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -80.8 108.29 14.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -136.95 177.08 8.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 54.0 m -91.67 175.57 6.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.77 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 54.4 m -69.32 99.26 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 71.64 150.99 0.96 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.636 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 83.6 mt -80.99 -56.43 4.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 7.1 p -93.11 134.68 26.79 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.002 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.43 -48.5 21.61 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.399 2.066 . . . . 0.0 112.327 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -161.21 154.18 21.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -151.46 168.16 30.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.424 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 52.2 m -92.05 117.84 30.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.779 0.324 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 59.24 96.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 52.7 ttm -163.8 115.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.771 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLN . . . . . 0.467 ' HA ' ' HG2' ' B' ' 22' ' ' GLN . 78.3 mt-30 -68.8 108.35 3.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.534 ' H ' ' HB3' ' B' ' 22' ' ' GLN . 29.8 mmmt -86.23 137.83 34.73 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.091 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.417 ' O ' ' HB ' ' B' ' 4' ' ' VAL . 31.2 Cg_exo -60.94 -26.0 82.41 Favored 'Trans proline' 0 CA--C 1.513 -0.552 0 C-N-CA 122.461 2.107 . . . . 0.0 110.504 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.511 ' O ' HG13 ' B' ' 4' ' ' VAL . 7.5 p 170.55 73.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 113.727 -1.578 . . . . 0.0 110.607 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.435 ' HB ' ' HG3' ' B' ' 2' ' ' LYS . 2.6 p -57.92 105.81 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.626 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 m -74.26 162.54 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.659 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 60.8 tp -161.97 150.72 15.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.511 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -138.97 -42.05 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.014 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -91.88 152.69 19.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.536 ' C ' ' H ' ' B' ' 12' ' ' ASP . . . -85.84 -176.78 6.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.248 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 t70 64.1 -15.53 0.08 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.282 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.536 ' H ' ' C ' ' B' ' 10' ' ' ALA . 5.0 m-20 -107.97 14.06 25.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.997 0.427 . . . . 0.0 110.441 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' B' ' 106' ' ' CYS . 61.4 m -61.33 -173.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.018 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 52.0 m -84.5 125.06 72.62 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.257 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.497 ' O ' ' N ' ' B' ' 17' ' ' LYS . 24.6 Cg_exo -63.01 79.84 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.357 2.038 . . . . 0.0 112.656 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.654 ' HG ' ' HB1' ' B' ' 107' ' ' ALA . 1.8 mp 45.13 -86.68 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.389 0.614 . . . . 0.0 112.112 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.566 ' H ' ' HD2' ' B' ' 17' ' ' LYS . 13.0 mptt -33.26 117.83 0.29 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.383 -1.28 . . . . 0.0 112.172 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.85 -161.84 1.14 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.728 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 27.9 m -158.66 145.13 17.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.481 ' HA ' HG12 ' B' ' 78' ' ' VAL . 19.8 mp0 -73.18 112.96 9.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.656 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 145.28 -18.99 1.9 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.396 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.534 ' HB3' ' H ' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -104.9 172.64 6.68 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.648 0.261 . . . . 0.0 110.386 179.67 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.559 ' HB3' ' HD3' ' B' ' 77' ' ' ARG . 9.3 pt-20 -154.02 -171.61 3.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.088 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.448 HD23 ' N ' ' B' ' 25' ' ' VAL . 9.7 tt -161.52 149.6 15.29 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.061 0.458 . . . . 0.0 111.48 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.476 HG22 ' HG3' ' B' ' 75' ' ' ARG . 91.8 t -136.03 104.96 4.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.508 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 51.1 tp -88.9 147.23 24.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 88.7 m -154.85 114.43 3.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 80.5 mt -115.3 154.12 47.48 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -83.07 125.24 4.03 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.538 2.159 . . . . 0.0 112.628 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 48.4 t -172.44 113.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.808 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -76.46 139.36 67.57 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -79.22 -9.71 15.13 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.625 2.217 . . . . 0.0 112.535 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 66.8 p -79.78 -0.4 34.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 67.4 p -100.3 -57.93 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.38 -43.29 1.23 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.123 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -75.35 100.74 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.807 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.554 ' HB2' ' HG3' ' B' ' 93' ' ' PRO . 14.0 mmm180 -106.26 -160.16 0.73 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.272 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.471 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 93.1 m95 -124.26 129.39 50.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.734 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -116.66 153.73 31.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.208 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.565 HD23 ' HG ' ' B' ' 88' ' ' LEU . 80.0 mt -96.14 97.85 9.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -67.03 -20.68 65.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.415 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.602 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 61.3 t30 -167.59 93.09 0.67 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.483 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.14 -5.8 17.28 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.531 2.154 . . . . 0.0 112.914 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.499 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 57.84 24.69 11.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.791 0.329 . . . . 0.0 110.711 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.15 -11.56 1.72 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.57 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.3 m -61.14 -33.49 73.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.419 HG11 ' HA3' ' B' ' 82' ' ' GLY . 34.3 m -126.41 -23.99 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.895 0.378 . . . . 0.0 111.326 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.499 HD12 ' HB3' ' B' ' 44' ' ' ALA . 90.4 mt -96.4 145.3 25.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.1 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -119.73 -161.37 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.165 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.559 ' HD3' ' HB3' ' B' ' 77' ' ' ARG . 9.6 mpt_? 64.26 16.16 9.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.629 0.252 . . . . 0.0 111.433 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -51.83 -72.54 0.05 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.698 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.07 175.85 5.14 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.751 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -82.54 -167.21 0.45 Allowed 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.961 2.44 . . . . 0.0 112.421 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -90.97 143.01 27.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.755 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 65.1 t -98.13 121.03 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.19 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -157.56 97.28 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.779 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.0 p -171.41 177.9 3.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -102.79 131.09 49.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.81 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 79.7 p -162.69 -51.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.969 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -78.34 128.07 33.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -100.62 -64.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -104.39 101.05 10.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 61.0 m -156.71 -175.24 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.56 -58.18 13.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.483 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 81.7 mt 58.68 108.19 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.163 0.506 . . . . 0.0 111.191 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 23.5 t -82.76 -24.42 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.015 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -110.82 -158.77 15.94 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.419 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 73.9 p -139.14 -10.42 1.28 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.754 0.311 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.04 4.98 0.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.526 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 153.92 136.68 2.32 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.542 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -143.85 146.4 33.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 58.9 m -65.04 143.6 57.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 68.1 m -136.37 110.45 8.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.07 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -117.07 124.81 50.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.737 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.476 ' HG3' HG22 ' B' ' 25' ' ' VAL . 48.7 ttp180 -137.65 137.15 38.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.302 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.55 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 0.0 OUTLIER -153.28 164.59 37.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.148 179.34 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.559 ' HB3' ' HD3' ' B' ' 50' ' ' ARG . 3.6 tpp180 -136.47 146.19 46.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.982 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.481 HG12 ' HA ' ' B' ' 20' ' ' GLN . 60.7 t -80.4 105.99 10.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 110.355 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.63 -59.02 2.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.817 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -126.25 -175.12 3.28 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.239 0.543 . . . . 0.0 111.719 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.761 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 6.4 p -83.43 -168.19 2.0 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.273 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' GLY . . . . . 0.419 ' HA3' HG11 ' B' ' 47' ' ' VAL . . . 118.36 167.72 14.08 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.311 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -107.74 133.27 52.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.123 0.487 . . . . 0.0 111.48 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -161.02 -178.78 7.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.668 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -162.01 116.43 1.89 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.812 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.644 HD12 HD11 ' B' ' 88' ' ' LEU . 0.3 OUTLIER -62.54 129.61 41.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.45 179.736 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.602 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 26.5 mt-10 -128.42 125.29 38.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.059 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.644 HD11 HD12 ' B' ' 86' ' ' LEU . 4.7 mp -132.33 161.13 34.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.787 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.466 HG22 ' N ' ' B' ' 90' ' ' TYR . 13.4 p -150.16 159.54 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.932 0.396 . . . . 0.0 111.254 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' TYR . . . . . 0.535 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 48.9 t80 -109.85 100.72 9.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.05 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.418 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 39.2 ptt180 -167.52 163.29 14.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.774 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.479 ' HA ' ' HD3' ' B' ' 93' ' ' PRO . 87.4 mtt180 -60.61 134.07 91.7 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.455 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 93' ' ' PRO . . . . . 0.554 ' HG3' ' HB2' ' B' ' 37' ' ' ARG . 2.5 Cg_endo -81.59 27.75 0.57 Allowed 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.259 2.639 . . . . 0.0 114.879 -177.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' TRP . . . . . 0.429 ' CZ3' ' HG2' ' B' ' 95' ' ' GLU . 25.7 p-90 -129.88 -13.05 4.17 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.396 0.617 . . . . 0.0 109.488 178.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.429 ' HG2' ' CZ3' ' B' ' 94' ' ' TRP . 31.4 mt-10 -69.16 163.71 24.25 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.134 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -105.93 -57.87 1.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.623 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -147.06 97.78 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.56 135.56 17.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.69 130.33 90.41 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' PRO . . . . . 0.418 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 67.6 Cg_endo -85.72 -161.14 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.656 2.237 . . . . 0.0 112.471 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -118.4 -19.93 8.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.535 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 25.4 mt-10 -135.85 -174.42 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.153 0.502 . . . . 0.0 111.494 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.2 p -173.08 154.29 2.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.556 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -157.7 151.38 23.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.773 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 47.9 t -171.86 144.85 1.82 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.852 0.358 . . . . 0.0 111.216 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' B' ' 13' ' ' CYS . 93.5 m -136.3 135.46 38.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.654 ' HB1' ' HG ' ' B' ' 16' ' ' LEU . . . -72.27 129.21 37.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ILE . . . . . 0.538 HD12 HD23 ' B' ' 86' ' ' LEU . 3.4 mt -138.18 90.82 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.539 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' GLN . . . . . 0.568 ' HB3' ' HB3' ' B' ' 16' ' ' LEU . 28.1 tt0 -120.92 99.79 6.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.219 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.761 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 2.3 t -86.15 161.46 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.012 0.434 . . . . 0.0 111.28 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.721 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 27.2 tpt180 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.729 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.798 0.332 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -146.14 52.34 0.57 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.497 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 47.4 t -142.01 141.55 32.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.827 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 47.0 t -84.48 161.7 20.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.987 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -123.95 -60.93 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -90.7 141.74 28.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -97.87 6.51 47.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -72.93 109.45 6.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -98.94 178.55 4.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -144.04 145.37 32.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.8 p -62.03 147.93 45.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.2 t -88.16 -44.44 10.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -77.24 128.48 9.01 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.516 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 56.6 tp -118.45 121.5 40.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 31.6 t -119.49 94.03 47.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -55.92 128.21 29.33 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.582 2.188 . . . . 0.0 112.318 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -109.61 -34.17 6.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -153.53 170.94 32.35 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 46.8 t -163.93 138.8 5.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.859 0.361 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -138.13 85.29 2.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 83.3 mtp 59.57 7.58 1.05 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.457 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -146.18 158.12 43.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.793 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.618 ' HE2' ' HD2' ' B' ' 3' ' ' PRO . 13.4 mtpt -152.57 171.24 6.93 Favored Pre-proline 0 N--CA 1.453 -0.322 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.618 ' HD2' ' HE2' ' B' ' 2' ' ' LYS . 13.1 Cg_endo -54.92 -5.91 0.57 Allowed 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 121.771 1.647 . . . . 0.0 109.672 177.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.689 ' HA ' ' HB2' ' B' ' 23' ' ' GLU . 13.1 t 64.74 125.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 114.021 -1.445 . . . . 0.0 110.63 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.719 ' HA ' HD12 ' B' ' 24' ' ' LEU . 2.5 p 179.02 127.89 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.685 -177.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.775 HG21 ' HA ' ' B' ' 25' ' ' VAL . 90.1 m -154.01 -91.64 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.063 0.459 . . . . 0.0 111.662 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' B' ' 25' ' ' VAL . 1.3 mm? -100.73 -174.72 2.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.861 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.416 ' HA ' ' HB ' ' B' ' 27' ' ' THR . 19.0 t70 -169.7 -27.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.37 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -136.49 -168.14 2.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.62 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.39 14.73 15.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.373 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -118.27 -10.46 10.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -88.1 8.7 25.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.07 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.525 ' HB3' ' HA ' ' B' ' 106' ' ' CYS . 71.6 m -70.56 134.69 47.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.999 0.428 . . . . 0.0 110.889 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 10.8 p -172.52 158.7 3.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.511 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.82 78.73 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.194 1.929 . . . . 0.0 111.861 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 tp -69.42 117.78 11.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.049 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -76.48 131.19 38.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.768 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' B' ' 19' ' ' THR . 31.5 tp 62.71 164.82 0.11 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.852 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.857 HG23 HG11 ' B' ' 78' ' ' VAL . 3.8 t 172.2 -20.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 112.003 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.416 ' HG3' ' CG1' ' B' ' 110' ' ' VAL . 93.7 mt-30 -40.92 114.37 0.47 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.991 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.0 43.39 2.62 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.064 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -143.78 126.89 16.51 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.689 ' HB2' ' HA ' ' B' ' 4' ' ' VAL . 1.4 mm-40 -83.43 -173.43 4.71 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.22 0.533 . . . . 0.0 111.933 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' B' ' 5' ' ' VAL . 0.5 OUTLIER 73.55 -158.11 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.811 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.775 ' HA ' HG21 ' B' ' 6' ' ' THR . 6.2 p 163.04 -45.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.103 0 C-N-CA 122.964 0.506 . . . . 0.0 110.575 -178.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.532 HD11 HD21 ' B' ' 86' ' ' LEU . 76.8 mt -151.69 161.44 42.66 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.111 0.482 . . . . 0.0 111.521 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.416 ' HB ' ' HA ' ' B' ' 8' ' ' ASP . 61.6 m -156.67 96.62 1.65 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.718 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.9 mt -144.0 152.83 56.04 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.009 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' B' ' 71' ' ' GLU . 97.8 Cg_endo -87.94 153.69 7.19 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.783 2.322 . . . . 0.0 112.287 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 61.4 p -168.63 161.47 11.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -96.79 104.7 19.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' PRO . . . . . 0.509 ' HA ' ' HD3' ' B' ' 37' ' ' ARG . 72.1 Cg_endo -73.44 151.98 48.53 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.566 2.177 . . . . 0.0 112.501 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 66.7 p 49.87 24.84 1.4 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.592 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 72.5 m -107.66 -38.58 5.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.24 -63.28 0.46 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.404 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -79.09 107.06 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.57 ' HB2' ' HG3' ' B' ' 93' ' ' PRO . 17.4 mmm180 -122.75 -160.93 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.326 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.451 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 96.4 m95 -125.7 123.1 38.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.936 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -101.17 159.35 15.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.749 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.501 HD23 ' HG ' ' B' ' 88' ' ' LEU . 89.0 mt -100.85 104.93 16.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.286 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -80.67 -21.5 41.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.246 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.604 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 8.7 t30 -169.62 84.8 0.61 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.154 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.431 ' HA ' ' CD1' ' B' ' 86' ' ' LEU . 42.0 Cg_endo -65.26 -1.75 4.96 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.704 2.269 . . . . 0.0 113.098 -178.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 54.76 24.71 5.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.959 0.409 . . . . 0.0 110.388 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.14 -13.64 2.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.372 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.1 t -61.35 -27.2 68.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.443 ' HA ' ' HB3' ' B' ' 80' ' ' ALA . 29.1 m -131.17 -7.19 2.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.773 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.619 HD22 HG22 ' B' ' 78' ' ' VAL . 27.0 mt -114.59 137.91 51.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.8 0.333 . . . . 0.0 111.199 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -100.63 144.79 29.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -103.48 132.07 50.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' B' ' 77' ' ' ARG . 7.3 mp -65.17 -43.13 92.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 144.01 -172.59 25.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.482 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.6 101.48 1.38 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.641 2.228 . . . . 0.0 112.39 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -172.58 116.01 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 27.3 m -130.23 11.67 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -130.04 -178.71 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.73 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 53.1 m -112.76 156.77 22.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -67.49 -62.02 1.62 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 50.2 m -119.51 -63.22 1.41 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -157.82 105.46 2.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.665 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -137.89 -178.25 5.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -81.8 113.16 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 47.8 t -155.4 -28.13 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.29 -72.74 0.42 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.452 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 68.8 mt 52.2 27.65 4.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.254 0.549 . . . . 0.0 111.344 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.39 -27.5 42.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -122.71 35.45 3.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.423 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 38.7 m 58.91 18.16 5.94 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.779 0.323 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 119.92 18.94 4.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.442 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.02 45.0 1.62 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.536 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.44 ' HA ' ' HA ' ' B' ' 29' ' ' PRO . 49.0 mt-10 -144.7 118.05 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 111.09 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.1 p -64.62 103.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.39 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 58.2 m -92.15 97.75 11.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.532 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.515 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 85.1 m95 -99.42 112.36 24.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.015 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.497 ' HD2' HG11 ' B' ' 4' ' ' VAL . 75.6 mtm180 -134.06 103.94 6.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.8 0.333 . . . . 0.0 111.883 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -107.38 -172.44 2.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.992 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.676 ' HB2' HD11 ' B' ' 51' ' ' LEU . 2.2 tmt_? -145.17 129.65 17.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.128 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.857 HG11 HG23 ' B' ' 19' ' ' THR . 31.1 t -77.77 144.87 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 111.641 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -156.68 6.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.954 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.488 ' O ' HG21 ' B' ' 110' ' ' VAL . . . -136.08 157.99 45.5 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.498 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 7.9 p -98.61 172.94 7.17 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.446 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.11 167.52 20.55 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.562 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -85.22 160.98 19.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.834 0.349 . . . . 0.0 111.207 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.408 ' OD2' ' HB ' ' B' ' 108' ' ' ILE . 7.3 p-10 -171.51 178.18 3.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.815 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -161.73 99.72 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.532 HD21 HD11 ' B' ' 26' ' ' LEU . 63.8 tp -60.0 141.09 56.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.585 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.604 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 23.5 mt-10 -140.55 133.61 29.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.584 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.595 ' HB2' ' HB3' ' B' ' 104' ' ' PHE . 6.2 mp -138.95 169.75 17.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.372 179.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.5 ' HA ' ' HA ' ' B' ' 103' ' ' SER . 14.9 p -149.44 157.91 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.018 0.437 . . . . 0.0 111.042 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' TYR . . . . . 0.453 ' N ' HG22 ' B' ' 89' ' ' VAL . 13.1 t80 -103.82 103.34 13.2 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.033 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.548 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 39.1 ptt180 -170.89 173.14 5.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.468 ' HA ' ' HD3' ' B' ' 93' ' ' PRO . 97.7 mtt180 -68.99 137.14 89.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.477 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 93' ' ' PRO . . . . . 0.57 ' HG3' ' HB2' ' B' ' 37' ' ' ARG . 2.2 Cg_endo -82.25 27.47 0.59 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.317 2.678 . . . . 0.0 114.986 -177.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 94' ' ' TRP . . . . . 0.433 ' CZ3' ' HG2' ' B' ' 95' ' ' GLU . 25.4 p-90 -129.2 -12.48 4.57 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.343 0.592 . . . . 0.0 109.455 179.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.433 ' HG2' ' CZ3' ' B' ' 94' ' ' TRP . 28.1 mt-10 -70.75 166.7 20.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.091 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -113.46 -41.02 3.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.546 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -167.26 103.12 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.745 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.61 -164.85 1.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.255 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -106.08 93.76 8.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.782 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' PRO . . . . . 0.548 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 50.3 Cg_endo -69.39 168.52 20.83 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.576 2.184 . . . . 0.0 112.33 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.58 -75.03 0.49 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -90.46 -177.35 5.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.388 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' B' ' 89' ' ' VAL . 49.1 m -161.6 -179.63 7.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.576 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.595 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 25.7 t80 -159.81 149.18 17.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 47.9 t -164.03 107.54 0.96 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.152 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' CYS . . . . . 0.525 ' HA ' ' HB3' ' B' ' 13' ' ' CYS . 0.1 OUTLIER -116.32 132.57 56.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.029 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.82 146.97 24.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.468 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ILE . . . . . 0.408 ' HB ' ' OD2' ' B' ' 84' ' ' ASP . 71.9 mt -146.29 145.07 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -144.95 102.43 3.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.642 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.498 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 3.5 t -68.66 -65.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.787 0.327 . . . . 0.0 111.012 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.014 -179.558 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.876 0.37 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 124.21 6.8 6.74 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.535 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 79.9 p -91.8 164.1 13.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.796 0.331 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 49.2 m -91.53 122.61 34.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -93.84 131.07 39.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -100.07 119.02 37.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -130.06 109.03 10.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 58.17 -172.25 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.031 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 -91.01 -175.63 4.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 44.1 t60 59.52 98.66 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.037 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 48.3 t -162.58 129.74 3.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 79.6 p -147.91 174.89 11.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 117.48 29.99 1.97 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.547 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.95 -175.67 4.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.822 0.344 . . . . 0.0 111.029 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 34.5 m -56.76 151.55 31.22 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.33 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.73 136.2 64.58 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.543 2.162 . . . . 0.0 112.365 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -105.35 -172.97 2.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -65.51 177.18 13.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.609 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 47.8 t -84.92 158.93 20.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -119.74 175.91 5.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 24.1 mmt -86.51 -176.87 6.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.695 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 65.16 126.98 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.752 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.561 ' HB2' HG23 ' B' ' 5' ' ' VAL . 42.0 mtpt -103.8 140.69 21.3 Favored Pre-proline 0 CA--C 1.519 -0.216 0 CA-C-O 120.722 0.296 . . . . 0.0 111.565 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.518 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 61.3 Cg_exo -57.13 -25.73 65.54 Favored 'Trans proline' 0 CA--C 1.508 -0.783 0 C-N-CA 122.625 2.217 . . . . 0.0 110.706 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 61.2 t -157.7 81.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.365 -1.289 . . . . 0.0 110.903 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.561 HG23 ' HB2' ' B' ' 2' ' ' LYS . 6.7 t -59.06 105.63 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -69.52 161.98 28.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.878 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.44 HD13 ' C ' ' B' ' 7' ' ' LEU . 2.5 tm? -162.19 113.41 1.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.183 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -109.3 -15.0 14.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -79.23 -159.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.57 -70.42 0.44 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.402 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -90.76 -8.85 48.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.178 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.7 -9.94 48.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.07 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.493 ' C ' ' HD3' ' B' ' 15' ' ' PRO . 0.7 OUTLIER -62.78 -96.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.242 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.555 ' N ' ' HD3' ' B' ' 15' ' ' PRO . 80.6 p 41.76 47.04 2.12 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.878 -178.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.614 ' HD2' ' HB3' ' B' ' 107' ' ' ALA . 92.3 Cg_endo -89.13 -35.01 0.09 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 122.026 1.817 . . . . 0.0 113.072 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.703 ' HG ' ' HB1' ' B' ' 107' ' ' ALA . 4.4 mp 58.77 -89.38 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.542 0.687 . . . . 0.0 110.913 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.404 ' H ' ' HB2' ' B' ' 16' ' ' LEU . 48.9 mttm -38.5 107.27 0.06 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.297 -1.319 . . . . 0.0 111.51 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 16.5 tp -142.65 172.7 12.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.409 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.559 HG23 HH12 ' B' ' 111' ' ' ARG . 24.3 m -154.32 145.76 23.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.933 0.397 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.475 ' HG3' HG12 ' B' ' 78' ' ' VAL . 18.7 mp0 -53.27 143.41 18.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.959 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.426 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 117.44 -10.86 14.42 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.427 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -111.8 152.93 27.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.92 0.39 . . . . 0.0 110.643 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.518 ' HB2' ' O ' ' B' ' 3' ' ' PRO . 37.7 mt-10 -127.99 -167.79 1.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.912 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.413 HD23 ' N ' ' B' ' 25' ' ' VAL . 8.9 tt -166.21 150.1 7.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.033 0.444 . . . . 0.0 111.413 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.513 HG22 ' HG2' ' B' ' 75' ' ' ARG . 65.3 t -138.47 107.64 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.819 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.427 ' HB2' ' HB2' ' B' ' 74' ' ' TRP . 94.6 mt -77.91 158.58 29.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 59.2 m -153.88 102.88 2.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . 82.0 mt -132.2 138.14 31.63 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 28' ' ' LEU . 23.6 Cg_exo -64.56 150.05 88.88 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.623 2.215 . . . . 0.0 112.282 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.4 ' HB3' ' HE1' ' B' ' 38' ' ' TRP . 88.5 p -164.65 132.91 3.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.694 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -108.06 104.02 52.1 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.019 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' PRO . . . . . 0.502 ' HB3' HH12 ' B' ' 37' ' ' ARG . 35.6 Cg_exo -57.92 -22.0 52.25 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.49 2.127 . . . . 0.0 112.302 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 77.8 p -63.02 -41.91 99.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.249 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 77.9 p -71.78 -63.77 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.242 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.7 -13.13 4.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.253 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -75.82 91.09 2.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.127 0.489 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.502 HH12 ' HB3' ' B' ' 32' ' ' PRO . 3.9 tpt180 -90.96 -146.93 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.248 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.4 ' HE1' ' HB3' ' B' ' 30' ' ' SER . 95.2 m95 -137.2 137.92 39.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.859 0.362 . . . . 0.0 110.937 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.493 ' HG2' HH21 ' B' ' 91' ' ' ARG . 8.9 tp10 -117.88 137.98 52.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.417 HD13 ' HB3' ' B' ' 43' ' ' PRO . 95.7 mt -89.97 108.78 19.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.523 ' NE ' ' HA ' ' B' ' 41' ' ' ARG . 4.0 mmp_? -82.57 -17.13 45.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.512 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.592 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 59.8 t30 -174.58 86.12 0.33 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.659 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.432 ' HA ' ' CD1' ' B' ' 86' ' ' LEU . 60.9 Cg_endo -71.87 0.93 6.38 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.587 2.192 . . . . 0.0 112.631 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.71 22.25 6.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.873 0.368 . . . . 0.0 110.929 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.85 -8.08 2.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.369 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -64.57 -34.41 78.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.25 -36.86 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.722 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.557 HD11 HG21 ' B' ' 108' ' ' ILE . 13.7 mt -86.89 133.46 33.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.8 0.333 . . . . 0.0 110.817 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -87.96 137.05 32.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -80.8 141.56 34.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.628 HD12 ' HB3' ' B' ' 75' ' ' ARG . 71.4 mt -91.42 104.21 16.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 73.56 163.5 8.54 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.54 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.52 -64.39 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.653 2.235 . . . . 0.0 112.31 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -164.46 -179.32 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 42.1 t -128.19 130.24 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.979 0.418 . . . . 0.0 111.042 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 75.2 t80 60.29 103.98 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.138 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m -117.75 -66.75 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.759 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -104.82 -163.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.726 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 51.7 m -53.48 -49.62 67.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.814 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 58.76 100.21 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.304 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -64.67 116.66 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.762 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 58.77 93.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.9 m -98.88 -39.95 8.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.036 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.65 71.83 0.74 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.313 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 46.8 mt -116.28 -143.13 0.38 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 121.039 0.447 . . . . 0.0 110.341 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 34.6 t -92.54 -27.98 4.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -116.38 -149.81 9.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.473 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 72.2 p -152.95 -5.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -111.1 -47.04 0.78 Allowed Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.396 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 162.47 140.82 2.96 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.548 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -151.59 177.59 10.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.334 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 54.9 m -121.1 109.14 14.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 58.1 m -114.04 129.6 56.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.427 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 80.5 m95 -125.2 146.59 49.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.628 ' HB3' HD12 ' B' ' 51' ' ' LEU . 93.6 mtt180 -137.18 135.81 37.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.703 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.76 153.96 49.65 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.967 0.413 . . . . 0.0 111.431 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.426 ' NH2' ' HA2' ' B' ' 21' ' ' GLY . 9.9 tpt180 -140.37 136.75 33.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.647 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.548 HG22 HD22 ' B' ' 48' ' ' LEU . 28.5 t -86.21 113.16 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.848 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' B' ' 20' ' ' GLN . . . -111.16 -53.51 2.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.93 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.6 155.75 20.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.912 0.387 . . . . 0.0 111.419 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.45 ' HA ' ' CB ' ' B' ' 110' ' ' VAL . 27.2 p -77.79 -176.85 4.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.35 160.76 11.27 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.579 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -89.29 145.24 25.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.702 0.287 . . . . 0.0 110.8 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -169.42 -174.27 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -167.02 109.62 0.69 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.697 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.477 ' HA ' ' O ' ' B' ' 42' ' ' ASN . 62.0 tp -63.47 146.76 52.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.904 0.383 . . . . 0.0 110.812 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.592 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 3.4 mt-10 -145.07 135.13 23.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.496 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.421 ' HB2' ' HB3' ' B' ' 104' ' ' PHE . 5.4 mp -144.95 118.47 9.1 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 22.1 m -109.03 157.32 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.759 0.314 . . . . 0.0 110.935 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' TYR . . . . . 0.605 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 6.9 t80 -95.45 108.45 20.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.347 -179.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.493 HH21 ' HG2' ' B' ' 39' ' ' GLU . 36.6 ptt180 -173.56 172.69 3.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.337 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.639 ' H ' ' HB2' ' B' ' 96' ' ' LYS . 94.7 mtt180 -54.82 155.3 8.19 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.806 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 93' ' ' PRO . . . . . 0.41 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 80.6 Cg_exo -47.32 -28.05 7.7 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.941 2.428 . . . . 0.0 113.443 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 94' ' ' TRP . . . . . . . . . . . . . 23.0 p90 -108.45 -57.14 2.17 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.782 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' B' ' 95' ' ' GLU . 10.3 pt-20 178.44 123.19 0.05 OUTLIER 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.992 0.425 . . . . 0.0 111.407 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.639 ' HB2' ' H ' ' B' ' 92' ' ' ARG . 12.5 tmtt? -103.29 91.26 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 60.09 14.3 4.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.833 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 57.01 17.02 3.14 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.414 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -124.1 96.68 41.84 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.658 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -77.79 145.54 22.86 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.974 2.45 . . . . 0.0 112.542 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.86 -66.46 0.84 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.808 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.605 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 20.9 mt-10 -85.17 -172.52 4.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.763 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 78.8 p -166.37 152.48 8.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.954 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.421 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 39.8 t80 -143.76 143.28 31.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 47.3 t -160.5 102.35 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 10.2 t -109.08 117.61 34.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.703 ' HB1' ' HG ' ' B' ' 16' ' ' LEU . . . -64.16 133.42 52.89 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ILE . . . . . 0.557 HG21 HD11 ' B' ' 48' ' ' LEU . 59.5 mt -146.0 111.97 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.997 0.427 . . . . 0.0 111.656 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -139.85 104.56 4.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.315 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.462 HG13 ' HA ' ' B' ' 19' ' ' THR . 20.4 t -63.25 -82.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.175 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.559 HH12 HG23 ' B' ' 19' ' ' THR . 6.7 mpt_? . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.314 -0.85 . . . . 0.0 110.971 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.777 0.322 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -97.2 -142.62 13.57 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.348 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 49.0 m -92.07 -31.02 15.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 81.1 p -90.95 121.82 33.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -140.73 119.54 12.56 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -131.55 -43.83 1.01 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -109.85 147.52 33.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.741 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -142.96 140.58 31.14 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.69 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -140.95 178.78 7.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.819 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -85.05 126.66 33.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 46.9 t -76.61 145.04 39.16 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 55.7 m -69.68 130.04 41.28 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -140.27 -139.68 3.77 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.384 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 55.2 tp -96.11 132.91 41.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.786 0.327 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 33.9 m -98.28 150.63 36.92 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -57.51 -62.39 0.22 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.674 2.249 . . . . 0.0 112.221 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -4' ' ' ARG . . . . . 0.426 ' NE ' ' HA ' ' B' ' -4' ' ' ARG . 4.4 mmp_? -96.1 137.64 34.88 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 150.67 -4.22 0.55 Allowed Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.594 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 47.8 t -96.64 142.94 28.08 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.703 0.287 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 61.6 m80 65.02 143.44 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.203 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 95.5 mmm -135.61 172.31 13.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -148.11 140.29 24.19 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.772 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.576 ' C ' ' H ' ' B' ' 4' ' ' VAL . 9.4 mmtm -131.29 141.97 43.78 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.629 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 31.6 Cg_exo -64.4 5.8 0.38 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.708 2.272 . . . . 0.0 110.186 177.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.649 HG21 HG23 ' B' ' 25' ' ' VAL . 2.0 p 42.6 101.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 114.3 -1.318 . . . . 0.0 112.083 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.69 141.38 17.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.116 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.429 HG22 ' N ' ' B' ' 7' ' ' LEU . 3.3 m -100.09 164.04 12.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.125 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.429 ' N ' HG22 ' B' ' 6' ' ' THR . 83.4 mt -138.27 145.88 41.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -138.21 -9.54 1.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -130.91 146.96 52.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.062 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.76 -43.83 24.69 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.055 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.6 -24.24 67.02 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.775 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -70.06 -19.8 63.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 60.7 m -69.19 155.72 39.92 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.051 0.453 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.457 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 14.3 m -153.55 159.27 32.32 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.355 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.457 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 13.8 Cg_endo -56.67 89.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.177 1.918 . . . . 0.0 111.628 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 22.6 tp -41.2 99.62 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.302 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.548 ' HD3' ' H ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -76.14 98.86 4.5 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.283 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.484 ' H ' ' HA ' ' B' ' 110' ' ' VAL . 27.7 tp 63.23 162.69 0.1 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.663 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.555 HG23 ' H ' ' B' ' 20' ' ' GLN . 0.0 OUTLIER -174.53 -89.23 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.62 -179.789 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.555 ' H ' HG23 ' B' ' 19' ' ' THR . 23.8 mt-30 47.81 88.99 0.02 OUTLIER 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.096 0.474 . . . . 0.0 111.065 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.08 2.35 18.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.073 -0.584 . . . . 0.0 111.946 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.551 ' HG2' ' HG3' ' B' ' 2' ' ' LYS . 4.8 mt-30 -104.5 133.57 49.14 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.793 0.33 . . . . 0.0 110.464 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.481 ' HG3' ' HB ' ' B' ' 4' ' ' VAL . 0.0 OUTLIER -98.6 -177.99 3.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.476 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 39.0 tp -162.26 112.57 1.53 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.716 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.649 HG23 HG21 ' B' ' 4' ' ' VAL . 54.2 t -110.74 95.59 3.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.459 ' HB2' ' HB2' ' B' ' 74' ' ' TRP . 94.3 mt -73.27 156.04 38.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.049 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 68.7 m -154.07 110.28 3.28 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.413 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . 80.7 mt -132.37 137.08 29.14 Favored Pre-proline 0 C--O 1.234 0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 28' ' ' LEU . 25.8 Cg_exo -62.83 122.81 11.26 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.582 2.188 . . . . 0.0 112.344 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 45.9 t -169.19 117.34 0.64 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.759 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -84.09 123.41 75.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -74.36 -1.33 10.85 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.49 2.126 . . . . 0.0 112.413 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 71.0 p -88.83 -7.6 55.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.229 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 69.1 p -90.39 -58.7 2.4 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.0 -42.85 1.07 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.286 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -71.92 100.67 2.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.074 0.464 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -100.65 -160.87 0.82 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.993 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -115.6 106.08 13.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.971 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -87.57 140.64 29.32 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.507 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 97.2 mt -90.08 100.59 13.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.333 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.481 ' HB2' ' HB3' ' B' ' 87' ' ' GLU . 14.2 mmm180 -72.54 -25.12 61.26 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.188 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.49 ' HB3' ' HB2' ' B' ' 87' ' ' GLU . 63.5 t30 -172.73 89.95 0.4 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.493 ' HG3' HH21 ' B' ' 50' ' ' ARG . 56.2 Cg_endo -69.16 8.2 0.68 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.647 2.231 . . . . 0.0 112.79 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.407 ' HA ' ' OD1' ' B' ' 84' ' ' ASP . . . 54.41 23.69 4.65 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.848 0.356 . . . . 0.0 110.787 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.67 -14.68 3.46 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.423 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 83.1 p -60.54 -29.63 69.26 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.2 m -123.39 -31.16 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.505 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.564 HD22 HG22 ' B' ' 78' ' ' VAL . 12.2 mt -92.58 168.91 10.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.68 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -131.03 148.57 52.76 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.493 HH21 ' HG3' ' B' ' 43' ' ' PRO . 99.0 mtt180 -90.46 158.12 17.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.514 HD12 ' HB3' ' B' ' 75' ' ' ARG . 93.5 mt -93.58 -63.2 1.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.896 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -141.36 176.71 21.6 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.417 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -81.22 -45.06 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.774 2.316 . . . . 0.0 112.518 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -95.07 160.35 14.6 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.057 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 31.6 m -132.83 11.6 1.51 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -104.1 -69.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.009 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.4 p -103.22 114.06 28.05 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -155.87 -59.86 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.766 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 79.6 p -145.93 -42.45 0.21 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.06 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 59.47 99.77 0.02 OUTLIER 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.203 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -94.27 -64.74 1.04 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.066 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -139.1 8.67 2.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.972 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 78.9 p -62.18 113.09 2.66 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.91 -39.27 17.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.427 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 78.2 mt 60.12 109.15 0.02 OUTLIER 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.922 0.391 . . . . 0.0 111.168 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 94.2 t -65.95 112.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.04 -133.27 11.67 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.544 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 77.2 p -91.81 4.58 52.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.682 0.277 . . . . 0.0 110.756 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.22 70.43 0.57 Allowed Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.449 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -121.92 50.62 0.83 Allowed Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.635 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -136.9 120.83 17.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 0.0 110.804 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 46.6 t -69.66 114.51 7.93 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 74.4 m -114.57 118.53 33.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.974 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.459 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 84.2 m95 -108.91 115.74 30.67 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.813 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.514 ' HB3' HD12 ' B' ' 51' ' ' LEU . 73.2 mtm180 -106.71 126.0 51.73 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -133.28 157.04 46.46 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.11 0.481 . . . . 0.0 111.138 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.46 HH11 ' HG2' ' B' ' 23' ' ' GLU . 9.9 tpt180 -145.23 124.78 13.19 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.318 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.564 HG22 HD22 ' B' ' 48' ' ' LEU . 61.3 t -66.36 143.85 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.196 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -131.21 -36.53 1.3 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.374 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -141.61 156.69 45.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.936 0.398 . . . . 0.0 111.381 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 43.0 p -72.97 -167.31 0.37 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.061 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 121.42 160.72 11.12 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.426 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -102.46 116.46 32.67 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.407 ' OD1' ' HA ' ' B' ' 44' ' ' ALA . 3.7 t70 -143.94 -170.27 3.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.445 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -155.87 116.92 3.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.095 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.511 HD22 HD11 ' B' ' 88' ' ' LEU . 4.1 mt -65.18 141.22 58.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.438 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.49 ' HB2' ' HB3' ' B' ' 42' ' ' ASN . 45.2 mm-40 -140.52 111.67 7.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.511 HD11 HD22 ' B' ' 86' ' ' LEU . 5.3 mp -127.44 122.49 33.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.348 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.463 HG22 ' N ' ' B' ' 90' ' ' TYR . 14.8 p -111.23 158.2 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.176 0.512 . . . . 0.0 111.207 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' TYR . . . . . 0.504 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 72.5 t80 -108.4 100.74 9.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.688 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.405 ' HB3' ' HA ' ' B' ' 100' ' ' PRO . 33.5 ptt180 -164.52 -169.34 1.73 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.052 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.416 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 97.7 mtt180 -79.55 111.49 21.41 Favored Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.586 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.8 -13.15 19.9 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.673 2.249 . . . . 0.0 113.623 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' TRP . . . . . 0.416 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 7.9 p90 -82.03 7.45 13.23 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.197 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -114.31 162.28 16.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.784 0.326 . . . . 0.0 110.977 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -84.9 -38.96 18.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.689 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -167.33 107.67 0.6 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.859 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.82 178.9 6.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.457 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 40.8 mt-10 -75.74 115.68 48.28 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.092 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 100' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' B' ' 99' ' ' GLU . 6.1 Cg_exo -79.31 159.85 26.14 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.989 2.46 . . . . 0.0 112.387 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -98.81 -68.34 0.81 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.3 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.504 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 5.5 mm-40 -100.79 -162.3 0.93 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.326 0.584 . . . . 0.0 111.805 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.3 p -168.87 157.06 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.799 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -163.41 103.5 0.95 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.682 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 28.7 m -122.34 152.28 40.3 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.096 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 63.6 m -144.98 140.29 28.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.586 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.24 148.48 27.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.448 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ILE . . . . . 0.466 HD13 HD11 ' B' ' 48' ' ' LEU . 74.4 mt -143.19 125.93 12.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.915 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -144.58 86.54 1.82 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.771 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.484 ' HA ' ' H ' ' B' ' 18' ' ' LEU . 17.9 t -72.02 -55.56 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.128 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.462 ' HE ' HD13 ' B' ' 18' ' ' LEU . 36.0 mmt180 . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.906 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.835 0.35 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 92.08 17.56 46.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 79.7 p -141.84 -21.83 0.72 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.92 0.39 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 51.1 m -135.39 135.53 40.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -92.22 175.26 6.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -94.06 141.45 28.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -91.32 2.56 56.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.817 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -89.75 126.18 35.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -95.06 145.86 24.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -129.7 -31.41 1.99 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 78.4 p -84.68 111.62 19.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 50.9 m 57.77 -172.62 0.09 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -161.39 -40.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.446 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 57.4 tp -159.93 111.64 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.838 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -6' ' ' VAL . . . . . 0.616 HG22 ' H ' ' B' ' -4' ' ' ARG . 4.3 p -156.4 129.74 4.51 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.975 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.65 -28.98 88.68 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.409 2.073 . . . . 0.0 112.331 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -4' ' ' ARG . . . . . 0.616 ' H ' HG22 ' B' ' -6' ' ' VAL . 59.2 ttp180 -58.64 -64.87 0.78 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.043 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -100.31 72.17 0.45 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 48.1 t -165.01 116.11 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 0.0 110.94 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -119.73 118.59 31.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.726 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.86 149.13 21.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.135 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLN . . . . . 0.461 ' HA ' HH22 ' B' ' 77' ' ' ARG . 11.4 pt20 -159.02 161.7 36.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.74 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.623 ' HG3' ' HG2' ' B' ' 22' ' ' GLN . 0.3 OUTLIER -132.78 151.11 77.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.338 . . . . 0.0 111.459 -179.823 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.55 ' HD2' ' HD3' ' B' ' 2' ' ' LYS . 36.8 Cg_exo -64.37 4.14 0.66 Allowed 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 123.178 2.585 . . . . 0.0 110.871 178.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.526 ' H ' ' C ' ' B' ' 2' ' ' LYS . 2.0 p 41.43 108.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 114.662 -1.154 . . . . 0.0 112.613 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.25 133.71 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.294 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.423 HG23 HG23 ' B' ' 25' ' ' VAL . 2.8 m -85.67 163.26 18.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.844 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 60.9 tp -150.56 142.92 24.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -143.64 0.77 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -116.65 177.56 4.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.22 -19.8 1.46 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.149 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -88.97 -26.18 21.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.776 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -81.74 2.97 27.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 18.9 m -77.03 144.95 38.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.055 0.455 . . . . 0.0 111.39 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.436 ' O ' ' N ' ' B' ' 16' ' ' LEU . 20.0 m -158.6 160.68 29.32 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.169 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.95 83.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.316 2.011 . . . . 0.0 111.908 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' B' ' 14' ' ' SER . 10.9 mt -66.58 172.4 4.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.802 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.519 ' HD2' ' N ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -121.33 72.47 1.0 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.61 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mp -73.68 -172.24 1.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.226 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 27.2 m -156.76 151.22 25.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.519 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -56.3 97.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.437 ' HA2' HH21 ' B' ' 77' ' ' ARG . . . 139.42 2.44 1.77 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.638 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.623 ' HG2' ' HG3' ' B' ' 2' ' ' LYS . 44.4 mt-30 -104.75 135.47 46.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.786 0.327 . . . . 0.0 110.703 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.451 ' HG3' ' HB ' ' B' ' 4' ' ' VAL . 0.1 OUTLIER -96.64 -175.68 3.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.361 179.461 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.429 ' HA ' HG23 ' B' ' 4' ' ' VAL . 4.9 tt -157.13 118.09 3.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.903 0.382 . . . . 0.0 110.795 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.516 HG13 HG21 ' B' ' 4' ' ' VAL . 19.9 m -106.3 148.76 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.221 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -153.5 147.24 25.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.2 m -151.73 132.91 14.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.232 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.419 ' HB3' ' HD2' ' B' ' 29' ' ' PRO . 5.5 mp -133.38 161.47 63.56 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.961 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' B' ' 28' ' ' LEU . 94.7 Cg_endo -82.48 125.22 4.37 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.531 2.154 . . . . 0.0 112.441 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.412 ' HB3' ' HE1' ' B' ' 38' ' ' TRP . 80.6 p -164.28 168.48 18.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.803 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -131.45 122.3 18.84 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.22 -0.82 10.11 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.426 2.084 . . . . 0.0 112.453 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 56.4 m -90.32 -33.35 16.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.066 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 69.6 p -66.23 -63.55 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.207 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.47 -28.57 2.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.384 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -81.02 98.76 8.11 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 111.047 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.409 ' HB2' ' HD3' ' B' ' 93' ' ' PRO . 18.1 mmm180 -101.05 -157.49 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.412 ' HE1' ' HB3' ' B' ' 30' ' ' SER . 88.3 m95 -127.15 136.56 52.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.732 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -117.32 154.86 30.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.956 0.407 . . . . 0.0 111.24 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.587 HD23 ' HG ' ' B' ' 88' ' ' LEU . 15.8 mt -102.87 98.74 8.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.201 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.465 HH11 HH22 ' B' ' 91' ' ' ARG . 31.9 mmm180 -72.53 -21.99 61.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.596 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.597 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 62.3 t30 -163.37 85.48 1.33 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.59 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.481 ' HB3' HD13 ' B' ' 40' ' ' LEU . 96.8 Cg_endo -77.9 32.24 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.82 2.346 . . . . 0.0 112.588 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.698 ' HB1' HD13 ' B' ' 48' ' ' LEU . . . 57.42 24.66 10.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.859 0.361 . . . . 0.0 110.971 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.72 -11.8 2.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.174 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -62.57 -47.75 82.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.969 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.881 HG23 HD12 ' B' ' 48' ' ' LEU . 8.3 m -128.34 -36.47 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.281 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.881 HD12 HG23 ' B' ' 47' ' ' VAL . 10.7 mp -71.78 -176.34 1.63 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.863 0.364 . . . . 0.0 110.551 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -142.97 150.14 39.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -94.69 156.38 16.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 82.1 mt -95.62 -68.02 0.82 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.79 157.43 29.45 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.612 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -66.32 -51.71 1.02 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.797 2.331 . . . . 0.0 112.282 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -57.08 152.37 13.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.993 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 28.3 m -124.77 12.4 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.068 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -115.93 144.85 43.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.5 t -156.0 -66.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.957 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -105.9 179.48 4.26 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 52.4 m -68.76 -56.12 9.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -125.58 112.99 16.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -84.09 -63.34 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -125.88 -58.12 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.82 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 57.1 m -141.2 -69.58 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.708 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.31 26.72 64.4 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.493 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 91.0 mt -97.48 21.38 10.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.306 0.574 . . . . 0.0 110.823 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 31.9 t -122.61 119.13 57.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.187 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.78 -32.18 6.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.566 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 94.6 p 50.67 23.96 1.53 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.813 0.339 . . . . 0.0 111.313 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -148.94 -15.89 0.1 OUTLIER Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.486 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.43 151.56 5.63 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.51 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.96 168.51 22.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 50.7 m -98.42 114.39 26.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 74.3 m -121.5 101.8 7.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -90.38 134.52 34.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.193 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -132.36 121.41 23.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.708 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -123.28 167.31 13.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.097 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.461 HH22 ' HA ' ' B' ' 1' ' ' GLN . 8.7 tpt180 -150.38 123.31 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.523 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.661 HG22 ' HG ' ' B' ' 48' ' ' LEU . 38.5 t -65.58 151.94 9.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.04 -3.82 0.75 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.407 ' O ' HG21 ' B' ' 110' ' ' VAL . . . -160.97 156.34 24.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 111.608 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.617 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 20.5 p -82.45 167.91 17.98 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.752 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.64 176.3 14.41 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.402 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -93.85 123.98 37.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.773 0.321 . . . . 0.0 111.042 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -139.5 -178.99 5.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.471 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -165.58 126.56 1.9 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.895 0.378 . . . . 0.0 111.229 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.604 HD23 HD12 ' B' ' 108' ' ' ILE . 1.8 mm? -75.73 113.04 12.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.754 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.597 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 27.4 mt-10 -111.13 113.3 25.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.007 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.594 HD11 HD12 ' B' ' 86' ' ' LEU . 6.1 mp -125.13 147.54 48.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.689 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 30.6 m -135.42 161.34 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.054 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' TYR . . . . . 0.537 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 17.3 t80 -102.82 101.71 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.205 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.465 HH22 HH11 ' B' ' 41' ' ' ARG . 39.4 ptt180 -160.97 167.14 27.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.605 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.436 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 77.1 mtt180 -57.44 145.66 67.19 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.489 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' PRO . . . . . 0.409 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 83.3 Cg_endo -77.96 -26.8 6.31 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.69 2.26 . . . . 0.0 113.838 -178.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 94' ' ' TRP . . . . . 0.436 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 19.1 p90 -90.14 7.74 36.41 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.582 -179.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -109.14 114.26 27.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.944 0.402 . . . . 0.0 110.824 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.459 ' HB3' ' NZ ' ' B' ' 96' ' ' LYS . 3.0 mmmp? -80.27 -16.39 54.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -148.7 94.66 2.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.96 135.26 15.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.893 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -60.62 112.96 6.41 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -78.68 151.52 25.13 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.588 2.192 . . . . 0.0 112.605 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.436 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -79.85 -65.63 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.786 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.537 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 19.0 mt-10 -85.9 -172.54 4.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.768 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.0 p -164.21 155.27 15.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.479 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 60.0 t80 -147.91 146.87 29.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.076 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 46.8 t -163.58 113.19 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.616 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 6.2 t -121.33 118.08 28.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.098 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.82 135.29 53.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ILE . . . . . 0.604 HD12 HD23 ' B' ' 86' ' ' LEU . 86.6 mt -144.31 114.4 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.511 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' B' ' 17' ' ' LYS . 25.5 mt-30 -118.87 112.62 19.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.57 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.617 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 39.5 t -65.57 -86.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.905 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.503 ' HB3' ' HB2' ' B' ' 81' ' ' SER . 25.2 tpt180 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.76 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 58.6 ttp . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.793 0.33 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 174.58 -125.83 1.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.584 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 79.9 p -146.3 148.78 32.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 77.3 p -149.59 -51.0 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -84.58 171.56 12.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -82.31 -35.95 27.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.774 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -103.61 155.32 18.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 66.1 m80 -130.51 150.03 51.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -133.59 -35.77 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 43.6 t60 -81.93 114.06 20.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.774 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 47.9 t -80.77 124.78 29.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.803 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.7 t -131.9 -28.6 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 170.92 -3.06 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.531 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 92.8 mt -87.58 118.51 27.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.763 0.316 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 18.7 m -95.04 149.43 36.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -57.91 136.57 76.01 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.586 2.191 . . . . 0.0 112.188 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -103.86 157.63 16.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.793 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -159.16 173.64 36.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.532 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 80.4 p -144.82 -179.89 6.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -84.35 91.91 7.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 67.2 mtt -144.92 162.12 37.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.749 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -100.72 117.35 34.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.624 ' H ' ' HG2' ' B' ' 22' ' ' GLN . 24.5 mmmt -85.67 154.21 58.72 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.321 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.489 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 22.4 Cg_exo -64.86 -57.99 0.25 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.751 2.301 . . . . 0.0 109.482 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.541 ' HA ' ' HB2' ' B' ' 23' ' ' GLU . 5.9 t -157.5 65.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 113.649 -1.614 . . . . 0.0 109.943 178.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.6 p -51.8 105.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.039 0.447 . . . . 0.0 110.88 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.3 m -72.07 163.1 28.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.566 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.497 HD21 ' SG ' ' B' ' 13' ' ' CYS . 61.1 tp -150.78 144.77 25.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.657 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -143.42 -45.49 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.01 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.415 ' HB2' ' HB2' ' B' ' 12' ' ' ASP . 10.1 m-20 -62.95 170.84 2.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.995 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.98 -45.58 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -74.0 -25.59 59.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.415 ' HB2' ' HB2' ' B' ' 9' ' ' ASP . 7.2 m-20 -78.83 -2.48 39.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.497 ' SG ' HD21 ' B' ' 7' ' ' LEU . 75.3 m -74.28 -87.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.522 ' O ' ' N ' ' B' ' 16' ' ' LEU . 50.6 m 64.47 165.04 0.12 Allowed Pre-proline 0 C--N 1.333 -0.134 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 51.7 Cg_exo -53.1 78.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.393 2.062 . . . . 0.0 112.148 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' B' ' 14' ' ' SER . 54.4 tp -74.63 129.36 37.59 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.221 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -83.22 108.75 16.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.851 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.531 ' HB3' HG21 ' B' ' 78' ' ' VAL . 10.9 mp -99.8 -175.51 2.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.5 m -159.89 149.92 18.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.63 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -55.79 104.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 134.91 5.89 2.36 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.481 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.624 ' HG2' ' H ' ' B' ' 2' ' ' LYS . 18.2 mt-30 -110.6 132.03 54.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.835 0.35 . . . . 0.0 110.72 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.541 ' HB2' ' HA ' ' B' ' 4' ' ' VAL . 40.6 mt-10 -109.9 171.03 7.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.091 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.47 HD23 ' N ' ' B' ' 25' ' ' VAL . 8.0 tt -161.61 144.23 12.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.989 0.423 . . . . 0.0 111.599 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.47 ' N ' HD23 ' B' ' 24' ' ' LEU . 93.9 t -136.52 108.1 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.46 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.505 HD23 HD21 ' B' ' 28' ' ' LEU . 37.6 tp -78.31 146.65 34.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.363 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.6 m -106.05 109.44 21.38 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.942 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.678 ' N ' ' HD2' ' B' ' 29' ' ' PRO . 3.1 mm? -106.65 -19.38 0.17 Allowed Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.678 ' HD2' ' N ' ' B' ' 28' ' ' LEU . 42.7 Cg_exo -32.05 104.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 122.475 2.117 . . . . 0.0 113.127 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.412 ' HB2' ' HE1' ' B' ' 38' ' ' TRP . 22.8 t -113.68 -74.48 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.886 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ASN . . . . . 0.524 HD22 HG21 ' B' ' 34' ' ' THR . 2.1 p-10 -168.96 87.67 0.63 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' PRO . . . . . 0.454 ' O ' HG23 ' B' ' 34' ' ' THR . 23.6 Cg_exo -64.24 -172.68 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.597 2.198 . . . . 0.0 112.34 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 37.8 p 53.94 21.3 2.77 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.652 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.524 HG21 HD22 ' B' ' 31' ' ' ASN . 61.1 p -115.86 -61.82 1.68 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.929 0.395 . . . . 0.0 111.066 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.05 -37.3 1.34 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.395 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -87.43 105.2 17.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.952 0.406 . . . . 0.0 111.16 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -115.09 -167.53 1.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.921 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.412 ' HE1' ' HB2' ' B' ' 30' ' ' SER . 92.6 m95 -110.06 101.5 10.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.997 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -81.66 135.9 35.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.647 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 tt -87.6 111.23 21.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.893 0.378 . . . . 0.0 110.77 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -79.5 -62.04 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.146 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.428 ' HB3' ' HB2' ' B' ' 87' ' ' GLU . 57.4 t30 -125.58 102.53 29.27 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.995 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -80.21 4.06 7.12 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.554 2.169 . . . . 0.0 112.854 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.459 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 54.64 27.37 8.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.59 -11.85 2.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.564 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.7 t -61.22 -30.11 70.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.291 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 26.4 m -131.91 -15.36 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.681 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.459 HD12 ' HB3' ' B' ' 44' ' ' ALA . 78.8 mt -106.84 142.53 36.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 0.0 111.319 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.403 ' CG ' ' H ' ' B' ' 50' ' ' ARG . 0.3 OUTLIER -125.35 -150.45 0.45 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.167 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.403 ' H ' ' CG ' ' B' ' 49' ' ' LYS . 0.6 OUTLIER 61.16 20.75 11.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.941 0.401 . . . . 0.0 111.02 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.407 ' H ' ' HG ' ' B' ' 51' ' ' LEU . 3.9 mt -76.36 -171.58 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.841 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.94 -176.43 44.34 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.54 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.91 177.48 6.33 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.581 2.188 . . . . 0.0 112.344 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -90.11 142.44 27.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 7.1 p -80.81 127.71 39.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.043 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -173.08 148.0 1.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.795 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 41.5 t -144.95 142.06 29.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -119.79 -16.98 8.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 79.1 p -80.1 -0.75 37.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.64 107.28 0.43 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.171 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -69.31 -54.89 12.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.537 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -96.13 167.41 11.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.345 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 59.1 m -57.42 98.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -106.71 76.6 0.23 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.125 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 28.2 mt -123.47 89.45 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.162 0.506 . . . . 0.0 110.793 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 58.1 t -139.08 -67.41 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -176.13 19.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.517 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 42.6 m -136.46 -12.01 1.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.28 98.56 0.34 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.456 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.92 -163.75 18.43 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.424 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.44 ' HG2' ' HB3' ' B' ' 29' ' ' PRO . 2.3 mp0 57.97 -174.6 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.905 0.383 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' SER . . . . . 0.414 ' HB2' ' HB2' ' B' ' 28' ' ' LEU . 70.0 m -128.49 131.74 48.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.59 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 62.5 m -138.8 136.91 36.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.283 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -129.04 127.29 41.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.829 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -123.69 140.63 52.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.772 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.407 ' HE1' HD22 ' B' ' 24' ' ' LEU . 0.0 OUTLIER -150.8 171.81 16.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.95 0.405 . . . . 0.0 110.942 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' B' ' 78' ' ' VAL . 3.4 tmm_? -154.87 135.96 13.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.349 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' B' ' 18' ' ' LEU . 46.6 t -55.95 111.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.245 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.69 -23.03 12.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.414 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.423 ' O ' HG21 ' B' ' 110' ' ' VAL . . . -160.88 155.82 24.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.168 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.531 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 55.4 p -64.13 -175.57 0.16 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.019 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.62 159.91 11.28 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.606 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -105.87 126.13 51.81 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.724 0.297 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -144.79 -171.4 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ARG . . . . . 0.423 ' HG3' ' HA ' ' B' ' 107' ' ' ALA . 79.3 ttt180 -162.19 126.31 3.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.952 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.585 ' HG ' HD12 ' B' ' 108' ' ' ILE . 14.0 mt -72.62 143.03 48.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 110.875 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.428 ' HB2' ' HB3' ' B' ' 42' ' ' ASN . 69.1 mm-40 -139.0 111.42 7.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.3 mp -127.48 122.18 32.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 110.737 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.453 HG22 ' N ' ' B' ' 90' ' ' TYR . 11.3 p -104.86 160.37 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.175 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' TYR . . . . . 0.453 ' N ' HG22 ' B' ' 89' ' ' VAL . 58.5 t80 -108.68 104.53 13.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.084 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.544 ' HD3' ' HB3' ' B' ' 100' ' ' PRO . 38.1 ptt180 -175.69 159.55 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.665 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.537 ' HB3' ' NE1' ' B' ' 94' ' ' TRP . 91.3 mtt180 -51.78 108.87 1.17 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.085 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -79.15 35.4 0.56 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.784 2.323 . . . . 0.0 114.603 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' TRP . . . . . 0.537 ' NE1' ' HB3' ' B' ' 92' ' ' ARG . 25.9 p-90 -131.55 -11.41 3.52 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.475 ' HG2' ' CZ3' ' B' ' 94' ' ' TRP . 32.5 mt-10 -72.13 -173.05 0.98 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.094 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -110.02 -41.11 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.502 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -172.66 93.31 0.12 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.654 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -126.56 165.82 18.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.108 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -81.11 116.85 65.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' PRO . . . . . 0.544 ' HB3' ' HD3' ' B' ' 91' ' ' ARG . 94.7 Cg_endo -78.39 170.25 18.76 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.66 2.24 . . . . 0.0 112.497 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.45 -54.79 2.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.963 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -107.12 -176.53 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.087 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 37.1 m -161.78 172.76 15.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.754 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -165.67 145.65 6.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.691 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 93.0 p -170.43 137.87 1.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.103 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 96.9 m -145.65 136.56 24.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.035 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.423 ' HA ' ' HG3' ' B' ' 85' ' ' ARG . . . -73.03 139.33 46.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.269 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ILE . . . . . 0.585 HD12 ' HG ' ' B' ' 86' ' ' LEU . 83.0 mt -142.94 112.82 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -133.08 124.82 28.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.586 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.531 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 43.6 t -66.01 -85.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.144 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.829 179.882 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 30.9 mmt . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.813 0.34 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 152.77 52.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 80.3 p -141.44 -42.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.671 0.272 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 79.7 p -95.85 114.37 26.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -100.66 176.76 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -95.45 -39.3 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 -138.62 164.23 30.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -109.53 139.84 44.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.796 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -116.71 118.73 33.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.753 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -80.24 -66.43 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.6 p -161.05 144.12 12.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.7 t -83.56 -19.08 36.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 142.96 142.63 4.03 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.26 114.98 5.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.373 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -6' ' ' VAL . . . . . 0.494 HG12 ' H ' ' B' ' -4' ' ' ARG . 58.3 t -88.96 129.2 49.17 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.999 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' -5' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' -6' ' ' VAL . 27.6 Cg_exo -61.53 -32.7 88.2 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.532 2.155 . . . . 0.0 112.274 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' -4' ' ' ARG . . . . . 0.494 ' H ' HG12 ' B' ' -6' ' ' VAL . 26.3 mmm180 -90.43 144.6 25.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 132.22 -78.37 0.37 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.527 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 49.1 m -138.76 176.98 8.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -133.05 -29.99 1.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.594 ' HB3' HH12 ' B' ' 77' ' ' ARG . 26.8 ptt? -67.12 173.24 3.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -133.4 -74.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.826 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.546 ' H ' ' HG2' ' B' ' 22' ' ' GLN . 32.1 mmmt -80.65 149.41 67.86 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-O 121.169 0.509 . . . . 0.0 111.661 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -81.69 33.56 0.53 Allowed 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 123.624 2.883 . . . . 0.0 109.862 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.564 HG12 HG22 ' B' ' 25' ' ' VAL . 35.5 t 92.76 67.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 113.54 -1.664 . . . . 0.0 109.473 -178.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.483 ' O ' HG13 ' B' ' 5' ' ' VAL . 7.7 p -54.4 107.78 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.142 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.551 HG23 HG23 ' B' ' 25' ' ' VAL . 1.9 m -66.07 162.04 20.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.095 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.615 ' HB2' HD11 ' B' ' 24' ' ' LEU . 63.8 tp -134.96 146.46 49.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.973 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -157.38 11.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.757 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -125.26 -175.28 3.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.702 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.73 6.68 9.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -122.82 -28.57 4.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -84.23 13.31 5.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.461 ' HB3' ' HB3' ' B' ' 106' ' ' CYS . 10.9 m -76.68 0.53 20.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.044 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.553 ' O ' ' HA ' ' B' ' 108' ' ' ILE . 50.6 m 65.62 68.33 0.69 Allowed Pre-proline 0 N--CA 1.453 -0.305 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.464 ' HA ' ' C ' ' B' ' 107' ' ' ALA . 50.2 Cg_endo -69.48 32.44 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.059 2.506 . . . . 0.0 112.805 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.59 ' HA ' ' HB2' ' B' ' 109' ' ' GLN . 2.8 pp -174.38 -154.02 0.05 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.509 ' HA ' ' O ' ' B' ' 109' ' ' GLN . 11.4 mtpp -33.43 104.75 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.805 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.484 ' HB3' HG22 ' B' ' 110' ' ' VAL . 13.6 tp -104.07 176.86 5.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.783 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.414 ' H ' ' HG ' ' B' ' 18' ' ' LEU . 71.8 p -119.6 112.98 20.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.943 0.401 . . . . 0.0 111.643 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.455 ' HA ' ' HB ' ' B' ' 78' ' ' VAL . 23.8 mt-30 -58.13 124.26 18.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.555 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.73 -13.94 9.22 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.217 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.546 ' HG2' ' H ' ' B' ' 2' ' ' LYS . 11.9 mt-30 -83.69 132.84 34.84 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.345 0.593 . . . . 0.0 110.753 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.539 ' CB ' HG22 ' B' ' 4' ' ' VAL . 30.7 mt-10 -98.31 169.29 9.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.204 179.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' B' ' 7' ' ' LEU . 8.3 tt -158.82 152.42 23.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.114 0.483 . . . . 0.0 111.851 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.564 HG22 HG12 ' B' ' 4' ' ' VAL . 3.2 m -143.42 145.49 22.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.647 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 60.0 tp -141.4 137.81 32.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.933 0.397 . . . . 0.0 111.011 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 86.6 m -132.36 126.89 34.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.991 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 85.6 mt -134.85 149.68 71.26 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.734 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.504 ' HB3' ' HB ' ' B' ' 66' ' ' VAL . 63.3 Cg_endo -73.06 145.93 40.47 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.505 2.137 . . . . 0.0 112.139 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 85.2 p -154.39 -24.35 0.13 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 61.58 103.32 0.03 OUTLIER Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.704 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' PRO . . . . . 0.412 ' HA ' ' NH2' ' B' ' 37' ' ' ARG . 52.1 Cg_exo -53.06 145.06 43.77 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.436 2.091 . . . . 0.0 112.514 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 33.8 m 56.98 81.29 0.14 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.387 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 26.1 p -147.11 -61.22 0.28 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.129 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.12 -46.76 0.63 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.159 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' B' ' 91' ' ' ARG . 6.6 m-85 -94.89 106.82 18.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.439 ' HB2' ' HD3' ' B' ' 93' ' ' PRO . 23.5 mmt180 -104.93 -158.32 0.66 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.928 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.434 ' CZ3' ' HB2' ' B' ' 90' ' ' TYR . 86.1 m95 -122.41 109.83 14.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.445 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -92.13 122.88 35.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.071 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.21 100.01 12.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.437 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' B' ' 41' ' ' ARG . 4.3 mmp_? -69.94 -63.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.211 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.569 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 50.4 t-20 -111.98 97.22 37.39 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.023 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -78.46 -0.48 10.75 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.507 2.138 . . . . 0.0 112.444 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.03 22.33 5.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.1 -8.9 3.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.223 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.0 t -69.3 -29.74 67.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.477 HG23 ' HG ' ' B' ' 48' ' ' LEU . 35.1 m -130.85 -43.53 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.526 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.515 HD22 HG22 ' B' ' 78' ' ' VAL . 18.2 mt -84.86 114.8 22.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.579 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -73.99 137.03 43.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -81.77 153.73 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.277 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.654 HD11 ' HB2' ' B' ' 77' ' ' ARG . 80.3 mt -120.02 93.18 3.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.64 167.23 1.96 Allowed Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.78 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -58.44 -170.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.848 2.366 . . . . 0.0 112.551 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.06 -6.18 49.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.114 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 49.3 t 65.75 131.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.304 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -165.27 128.67 2.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.756 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -103.3 150.84 23.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.943 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -102.1 -3.61 27.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.9 t -79.33 165.52 23.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -81.77 137.32 35.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -132.73 135.86 46.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -136.57 109.94 7.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 57.6 m -153.53 -176.02 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.54 55.99 5.01 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.488 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.9 mt -97.48 175.0 6.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.881 0.372 . . . . 0.0 110.94 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.504 ' HB ' ' HB3' ' B' ' 29' ' ' PRO . 23.6 t -78.93 -24.91 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -117.82 -174.12 16.5 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.446 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 67.9 p -139.53 105.86 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.733 0.302 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.25 -57.81 0.7 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.456 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -154.81 -172.64 22.78 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.445 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -159.69 135.85 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.367 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 80.5 p -73.11 125.42 27.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.715 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 56.7 m -128.31 142.15 51.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 16.6 m-90 -125.76 154.24 42.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.785 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.568 ' HG2' HD12 ' B' ' 51' ' ' LEU . 76.4 ttt180 -150.16 131.74 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.472 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -138.54 164.91 28.23 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.114 0.483 . . . . 0.0 111.722 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.654 ' HB2' HD11 ' B' ' 51' ' ' LEU . 4.1 tpp180 -147.54 128.2 14.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.325 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.515 HG22 HD22 ' B' ' 48' ' ' LEU . 6.5 t -78.74 120.34 29.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.481 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.56 -43.61 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.45 177.82 7.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.096 0.475 . . . . 0.0 111.76 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.715 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 10.3 p -82.76 -168.88 2.21 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.006 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 117.4 154.94 10.04 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.363 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.94 120.65 30.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -139.43 172.29 13.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -160.06 104.5 1.51 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.414 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.456 ' HG ' HD11 ' B' ' 88' ' ' LEU . 8.1 tp -61.12 136.72 58.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.684 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.569 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 16.6 mt-10 -136.57 120.46 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.203 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.456 HD11 ' HG ' ' B' ' 86' ' ' LEU . 4.5 mp -135.78 151.92 50.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.659 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 23.7 m -143.55 166.45 13.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.098 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' TYR . . . . . 0.606 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 56.6 t80 -117.36 102.48 9.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.426 ' HA ' ' CD2' ' B' ' 36' ' ' PHE . 38.1 ptt180 -166.57 177.98 6.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.726 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.493 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 72.3 mtt180 -53.85 121.55 29.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.407 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 93' ' ' PRO . . . . . 0.439 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 73.5 Cg_endo -72.78 5.94 2.68 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.65 2.233 . . . . 0.0 113.588 -178.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 94' ' ' TRP . . . . . 0.493 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 18.5 p90 -114.19 12.97 17.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.917 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -110.14 155.73 21.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.026 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -94.96 -53.92 3.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.567 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -140.0 101.14 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.421 ' H ' ' NH1' ' B' ' 91' ' ' ARG . . . -133.11 -170.86 2.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -104.03 97.26 10.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.37 136.77 27.02 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.414 2.076 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.0 -44.74 95.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.046 0.451 . . . . 0.0 110.986 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.606 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 17.9 mt-10 -109.24 -173.04 2.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.595 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.0 p -173.14 154.07 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.717 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -155.51 110.34 2.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 91.9 p -120.59 148.55 43.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' CYS . . . . . 0.461 ' HB3' ' HB3' ' B' ' 13' ' ' CYS . 53.3 m -151.81 133.08 14.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.124 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.514 ' O ' HG13 ' B' ' 108' ' ' ILE . . . -98.73 151.44 20.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 108' ' ' ILE . . . . . 0.553 ' HA ' ' O ' ' B' ' 14' ' ' SER . 96.3 mt -157.86 111.68 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.494 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 109' ' ' GLN . . . . . 0.59 ' HB2' ' HA ' ' B' ' 16' ' ' LEU . 88.9 mt-30 -112.96 103.8 11.77 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.715 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 3.3 t -90.49 148.36 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.082 0.467 . . . . 0.0 111.486 -179.352 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.6 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 25.0 tpt180 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.816 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 94.3 mmm . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.725 0.298 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -148.56 12.37 1.16 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.569 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 52.7 m -93.35 139.43 30.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.781 0.324 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 47.4 t -119.16 105.44 11.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -139.79 146.21 39.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -94.4 -178.34 4.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -63.79 -41.6 97.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.775 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -160.39 115.77 2.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.786 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -79.92 128.24 33.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -70.18 124.57 24.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.3 p -115.13 152.11 33.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 81.9 p -88.82 178.48 6.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 159.87 29.22 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.627 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 89.4 mt -94.55 10.43 34.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 0.0 110.922 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 39.7 t -96.21 109.38 46.93 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -64.56 -172.73 0.2 Allowed 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.485 2.123 . . . . 0.0 112.445 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -81.45 -48.86 11.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 82.2 84.27 0.81 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 80.3 p -85.61 117.7 24.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.985 0.421 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -151.83 -39.02 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.808 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 51.4 ttm -112.45 142.3 45.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -77.58 -168.43 1.18 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.635 ' HG2' HG23 ' B' ' 5' ' ' VAL . 0.0 OUTLIER -91.44 122.07 66.52 Favored Pre-proline 0 CA--C 1.518 -0.277 0 CA-C-O 120.686 0.279 . . . . 0.0 111.426 -179.749 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 27.9 Cg_exo -64.53 -8.9 18.49 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.443 2.095 . . . . 0.0 110.033 178.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.646 ' HB ' ' HB2' ' B' ' 23' ' ' GLU . 5.8 p 168.02 83.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 114.054 -1.43 . . . . 0.0 111.306 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.635 HG23 ' HG2' ' B' ' 2' ' ' LYS . 0.3 OUTLIER -58.53 144.47 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.298 179.255 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.54 171.01 8.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.056 0.455 . . . . 0.0 112.15 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.405 ' HB2' HD13 ' B' ' 26' ' ' LEU . 74.5 mt -147.78 -177.23 5.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.635 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -178.3 -24.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.034 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -120.92 126.89 51.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.55 -36.9 83.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.21 -32.24 73.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.779 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -76.92 -9.16 58.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 91.1 m -84.46 139.14 32.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.024 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.57 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 13.5 m -156.09 164.1 22.54 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.055 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.57 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 15.7 Cg_endo -58.07 80.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.113 1.875 . . . . 0.0 111.44 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' B' ' 14' ' ' SER . 57.3 tp -81.3 142.21 33.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.966 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' B' ' 109' ' ' GLN . 23.5 mtpp -83.55 99.35 10.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.342 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.427 HD12 HG21 ' B' ' 78' ' ' VAL . 0.5 OUTLIER -86.51 -169.02 2.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.602 -179.303 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.45 HG23 ' HE ' ' B' ' 111' ' ' ARG . 0.2 OUTLIER -168.29 139.04 2.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.682 -179.847 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -56.24 118.07 4.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.778 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.426 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 136.27 -17.41 3.8 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.198 -179.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.491 ' O ' ' HD2' ' B' ' 77' ' ' ARG . 67.8 mt-30 -96.29 165.73 12.07 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 120.944 0.402 . . . . 0.0 110.104 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.646 ' HB2' ' HB ' ' B' ' 4' ' ' VAL . 32.8 mt-10 -122.55 -175.51 3.16 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.181 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.458 ' N ' HG23 ' B' ' 4' ' ' VAL . 4.1 tt -162.8 99.84 1.0 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.651 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.585 HG13 ' HG2' ' B' ' 75' ' ' ARG . 95.7 t -113.93 98.02 6.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.532 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.405 HD13 ' HB2' ' B' ' 7' ' ' LEU . 14.1 tp -90.49 159.3 16.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.04 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.472 HG21 HG11 ' B' ' 66' ' ' VAL . 82.1 m -153.16 118.47 5.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.422 HD22 ' N ' ' B' ' 28' ' ' LEU . 3.7 mm? -115.04 150.22 43.86 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -83.17 118.56 2.66 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.639 2.226 . . . . 0.0 112.257 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.413 ' HB3' ' HE1' ' B' ' 38' ' ' TRP . 80.1 p -153.09 117.03 4.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.955 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ASN . . . . . 0.429 ' HB2' HG23 ' B' ' 34' ' ' THR . 2.4 m-20 -70.5 130.45 89.06 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.677 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -77.15 9.28 2.84 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.773 2.316 . . . . 0.0 112.61 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 75.8 p -113.59 10.19 18.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.251 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.429 HG23 ' HB2' ' B' ' 31' ' ' ASN . 41.7 p -96.8 -72.65 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.329 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.64 -27.05 2.23 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.908 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.42 ' HE1' ' HE ' ' B' ' 92' ' ' ARG . 5.8 m-85 -93.42 101.45 13.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.108 0.48 . . . . 0.0 110.999 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.407 ' HB2' ' HD3' ' B' ' 93' ' ' PRO . 6.9 mpt_? -94.76 -155.5 0.47 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.703 179.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.413 ' HE1' ' HB3' ' B' ' 30' ' ' SER . 93.3 m95 -124.49 125.34 44.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -104.59 160.94 14.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.262 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.573 HD23 ' HG ' ' B' ' 88' ' ' LEU . 20.0 mt -113.21 109.65 19.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.207 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.502 HH11 HH22 ' B' ' 91' ' ' ARG . 21.9 mmm180 -85.33 -13.65 48.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.074 0.464 . . . . 0.0 110.198 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.585 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 53.3 t-20 -163.47 88.27 1.23 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.23 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -73.14 6.09 2.75 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.582 2.188 . . . . 0.0 112.814 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.408 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 57.53 27.69 14.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.981 0.419 . . . . 0.0 110.989 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.72 -4.09 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.397 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 53.0 m -76.79 -33.27 58.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.181 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 18.7 m -130.46 -40.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.761 0.315 . . . . 0.0 111.517 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.408 HD12 ' HB3' ' B' ' 44' ' ' ALA . 38.3 mt -77.13 155.96 31.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.06 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.411 ' CG ' ' H ' ' B' ' 50' ' ' ARG . 0.3 OUTLIER -133.87 -161.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.453 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.574 ' HB2' ' HB3' ' B' ' 77' ' ' ARG . 6.5 tpm_? 59.65 19.75 8.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.054 0.455 . . . . 0.0 110.601 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.437 HD13 ' CD1' ' B' ' 76' ' ' PHE . 4.2 mm? -45.15 -43.84 10.25 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.884 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.99 -179.36 18.81 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.583 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -79.01 -171.1 1.15 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.779 2.319 . . . . 0.0 112.492 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -93.19 131.11 38.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.69 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.411 HG22 ' CD2' ' B' ' 56' ' ' TYR . 8.3 p -68.05 130.6 33.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' TYR . . . . . 0.411 ' CD2' HG22 ' B' ' 55' ' ' VAL . 47.7 m-85 54.94 94.38 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.138 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.5 p -160.64 -14.79 0.05 OUTLIER 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -91.72 179.66 5.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 80.0 p -81.48 162.3 23.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 60.69 104.83 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.117 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -60.83 111.68 1.74 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.962 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -78.24 155.52 30.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.668 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.1 m -85.12 40.6 0.83 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.999 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.1 45.03 2.92 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.26 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.456 HD22 ' HA2' ' B' ' 69' ' ' GLY . 43.1 mt -60.71 147.49 42.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.795 0.331 . . . . 0.0 110.97 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.472 HG11 HG21 ' B' ' 27' ' ' THR . 59.2 t -113.37 -30.04 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.78 -101.6 0.18 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.596 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 75.3 p -60.03 -42.1 93.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.733 0.301 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' GLY . . . . . 0.456 ' HA2' HD22 ' B' ' 65' ' ' LEU . . . 143.36 89.48 0.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.83 89.53 1.84 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.544 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -142.17 148.67 38.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.754 0.311 . . . . 0.0 110.808 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 54.3 m -63.77 151.32 42.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 61.4 m -136.48 130.4 32.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.167 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.418 ' O ' ' HA ' ' B' ' 25' ' ' VAL . 73.4 m95 -127.33 129.51 47.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.621 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.585 ' HG2' HG13 ' B' ' 25' ' ' VAL . 96.4 mtt180 -135.85 132.98 37.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.529 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 6.2 m-85 -147.11 168.18 22.26 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.513 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.574 ' HB3' ' HB2' ' B' ' 50' ' ' ARG . 9.4 tpt180 -145.98 133.41 20.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.471 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.427 HG21 HD12 ' B' ' 18' ' ' LEU . 24.5 t -68.51 110.36 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.887 0.375 . . . . 0.0 110.736 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.34 -47.91 4.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.579 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.58 157.9 44.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.192 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.622 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 51.8 p -71.25 -170.74 0.51 Allowed 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.38 163.81 12.27 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.586 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ASP . . . . . 0.516 ' HB3' HE21 ' B' ' 109' ' ' GLN . 3.2 p-10 -98.93 110.03 22.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 110.94 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -123.65 -176.79 3.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.723 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -159.82 113.23 2.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.725 HD12 HD11 ' B' ' 88' ' ' LEU . 0.5 OUTLIER -66.76 137.13 56.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.647 179.714 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.585 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 27.6 mt-10 -135.55 120.8 19.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.986 0.422 . . . . 0.0 111.214 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.725 HD11 HD12 ' B' ' 86' ' ' LEU . 4.2 mp -133.98 152.28 51.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.314 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' B' ' 103' ' ' SER . 19.1 m -140.87 163.15 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 111.124 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -106.81 101.98 11.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.184 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.502 HH22 HH11 ' B' ' 41' ' ' ARG . 39.3 ptt180 -164.84 172.12 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.649 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.513 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 72.6 mtt180 -58.82 138.85 86.88 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.438 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 93' ' ' PRO . . . . . 0.407 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 89.6 Cg_endo -79.23 -15.12 12.93 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.546 2.164 . . . . 0.0 113.277 -178.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 94' ' ' TRP . . . . . 0.513 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 6.4 p90 -94.2 9.42 38.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.671 0.272 . . . . 0.0 111.307 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -112.27 116.29 30.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.948 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -69.72 -38.65 76.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -140.42 101.87 4.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.793 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.63 135.26 16.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.41 110.33 2.28 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.797 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' PRO . . . . . 0.408 ' HB3' ' HD3' ' B' ' 91' ' ' ARG . 78.1 Cg_endo -78.32 152.56 27.1 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.338 2.025 . . . . 0.0 112.37 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.64 -69.38 0.52 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.681 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -90.6 -165.25 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.012 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' B' ' 89' ' ' VAL . 43.3 t -171.23 165.95 7.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.961 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -168.93 106.47 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 79.7 p -129.25 141.99 50.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.847 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 85.9 m -134.88 153.61 51.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.274 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.97 141.32 31.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' ILE . . . . . 0.552 HD12 HD23 ' B' ' 86' ' ' LEU . 96.0 mt -144.95 121.51 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.077 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 109' ' ' GLN . . . . . 0.516 HE21 ' HB3' ' B' ' 83' ' ' ASP . 54.0 mt-30 -135.62 106.98 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.728 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.622 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 21.4 t -65.46 -79.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.127 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.51 ' HG2' HG12 ' B' ' 110' ' ' VAL . 37.3 mmt180 . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.146 -0.93 . . . . 0.0 111.066 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.821 0.343 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 169.99 -148.12 11.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 47.1 t -90.45 -15.96 29.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 48.0 t -85.32 103.26 14.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -166.31 112.93 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.801 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -138.95 -1.51 1.78 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -69.97 111.06 5.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -147.24 104.12 3.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -139.38 134.6 32.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -84.62 138.98 32.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.1 p -99.81 170.82 8.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 78.6 p -150.69 128.79 11.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -84.32 69.54 3.32 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.454 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 91.1 mt -79.78 116.45 19.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -6' ' ' VAL . . . . . 0.565 ' HB ' ' HD3' ' B' ' -5' ' ' PRO . 96.7 t -77.22 -48.31 2.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.495 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' -5' ' ' PRO . . . . . 0.565 ' HD3' ' HB ' ' B' ' -6' ' ' VAL . 24.6 Cg_exo -62.7 136.58 58.77 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.207 1.938 . . . . 0.0 112.227 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -135.05 6.21 3.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -119.71 138.33 13.14 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.545 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 79.0 p -95.26 114.42 26.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.692 0.282 . . . . 0.0 110.989 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 66.1 m80 -136.14 177.2 8.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 26.6 mmt -88.02 10.77 17.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -72.47 98.44 2.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.624 ' HB2' HG12 ' B' ' 5' ' ' VAL . 25.0 mmmt -117.56 144.4 34.12 Favored Pre-proline 0 CA--C 1.518 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.51 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.501 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 51.9 Cg_exo -55.04 -31.06 73.04 Favored 'Trans proline' 0 CA--C 1.507 -0.845 0 C-N-CA 122.587 2.192 . . . . 0.0 109.967 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.577 HG22 ' HB2' ' B' ' 23' ' ' GLU . 92.8 t -155.65 84.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 113.668 -1.605 . . . . 0.0 110.337 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.624 HG12 ' HB2' ' B' ' 2' ' ' LYS . 3.2 m -62.62 156.65 4.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 110.21 -0.292 . . . . 0.0 110.21 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.41 151.1 39.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.814 0.34 . . . . 0.0 111.662 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.48 HD21 ' SG ' ' B' ' 13' ' ' CYS . 68.2 tp -141.65 154.32 45.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.71 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -163.1 15.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.429 ' HB2' ' HB2' ' B' ' 12' ' ' ASP . 10.0 m-20 -132.42 -177.95 4.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.75 -43.91 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -84.51 -27.12 27.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.429 ' HB2' ' HB2' ' B' ' 9' ' ' ASP . 10.0 m-20 -81.08 10.65 4.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.029 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.48 ' SG ' HD21 ' B' ' 7' ' ' LEU . 99.3 m -77.39 -80.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.486 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.666 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 40.2 m 67.54 169.12 0.11 Allowed Pre-proline 0 N--CA 1.461 0.079 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.666 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 7.4 Cg_endo -48.49 81.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.03 1.82 . . . . 0.0 111.769 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.659 ' HB2' HG12 ' B' ' 108' ' ' ILE . 11.0 mt -55.11 -168.09 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.368 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.59 ' HD3' HG23 ' B' ' 108' ' ' ILE . 5.3 mptp? 53.6 -154.94 0.23 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.436 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.469 ' H ' ' HB3' ' B' ' 17' ' ' LYS . 17.0 tp 174.39 -51.67 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.484 0.659 . . . . 0.0 110.83 -178.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.539 ' HA ' ' H ' ' B' ' 111' ' ' ARG . 49.0 m -153.49 145.49 23.66 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.684 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -51.02 148.25 4.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.455 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 108.39 11.73 22.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.344 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -119.32 162.95 17.9 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.577 ' HB2' HG22 ' B' ' 4' ' ' VAL . 38.8 mt-10 -138.61 -171.59 3.1 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.424 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.529 HD12 HG23 ' B' ' 5' ' ' VAL . 0.8 OUTLIER -158.39 145.59 17.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.535 179.684 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.605 HG22 ' HG2' ' B' ' 75' ' ' ARG . 48.5 t -139.93 100.49 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.165 179.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.2 tp -103.57 146.56 28.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.339 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 58.7 m -142.54 108.04 5.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.7 mt -119.44 156.38 53.23 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.027 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -80.21 149.44 19.58 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.547 2.165 . . . . 0.0 112.289 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.9 p -154.49 -32.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 60.16 101.81 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.75 -9.87 12.76 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.48 2.12 . . . . 0.0 112.341 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 48.2 m -73.3 -29.07 62.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.269 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 45.3 p -74.03 -72.75 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.362 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.85 -23.9 2.75 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.958 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -87.19 97.84 10.99 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.408 0.623 . . . . 0.0 111.041 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -88.55 -155.85 0.35 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.306 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -126.06 119.4 27.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.775 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -96.71 150.49 20.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.599 HD23 ' HG ' ' B' ' 88' ' ' LEU . 68.8 mt -101.89 103.29 13.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.298 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.512 ' HD3' HH21 ' B' ' 91' ' ' ARG . 29.9 mmm180 -81.68 -14.81 56.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.223 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.566 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 56.3 t-20 -166.75 86.87 0.84 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.487 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.0 18.49 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.478 2.118 . . . . 0.0 112.627 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.15 26.17 9.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.25 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.27 -9.36 4.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.183 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 51.0 m -68.62 -33.67 74.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' B' ' 80' ' ' ALA . 30.4 m -129.17 -45.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.579 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.592 HD22 HG22 ' B' ' 78' ' ' VAL . 13.4 mt -81.85 134.58 35.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.984 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -91.08 138.44 31.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.68 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -83.9 137.92 33.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.446 ' N ' HD12 ' B' ' 51' ' ' LEU . 7.5 mp -83.49 -29.84 27.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.77 -168.39 13.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.495 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.31 114.98 3.81 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.633 2.222 . . . . 0.0 112.261 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -151.4 117.11 5.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.715 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.48 HG12 ' HB ' ' B' ' 73' ' ' THR . 18.5 m -138.41 -179.06 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 59.22 23.61 11.97 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.046 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.439 ' HB3' HH21 ' B' ' 75' ' ' ARG . 49.3 m -59.91 149.21 32.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.97 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -130.26 121.53 26.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.013 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 54.1 m -147.47 -61.57 0.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -132.31 148.82 52.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -67.79 -39.28 84.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -92.32 102.97 15.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 52.8 m -151.49 -7.36 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.51 8.99 10.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.609 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 75.7 mt -61.16 125.43 23.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.736 0.303 . . . . 0.0 110.836 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.7 p -82.3 -24.03 9.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.954 0.407 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -157.53 -118.39 0.55 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.508 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 73.2 p -141.53 3.25 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.319 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.45 -41.87 94.09 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.439 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 134.28 -42.86 1.31 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 58.2 -177.98 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.8 0.333 . . . . 0.0 111.227 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 46.0 t -70.38 149.82 46.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.48 ' HB ' HG12 ' B' ' 55' ' ' VAL . 89.0 m -141.17 131.11 24.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.97 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.466 ' O ' ' HA ' ' B' ' 25' ' ' VAL . 11.2 m-90 -123.19 133.27 54.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.333 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.605 ' HG2' HG22 ' B' ' 25' ' ' VAL . 87.5 mtt180 -129.79 123.35 30.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.546 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -133.41 150.12 51.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.039 0.447 . . . . 0.0 111.61 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.455 ' NH2' ' HA2' ' B' ' 21' ' ' GLY . 12.7 tpt180 -127.25 153.65 45.85 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.329 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.592 HG22 HD22 ' B' ' 48' ' ' LEU . 11.3 t -105.92 115.17 47.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.814 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -128.2 -12.38 5.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.585 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' B' ' 47' ' ' VAL . . . -124.15 156.34 36.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.372 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.674 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 10.7 p -94.0 179.4 5.34 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.497 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.54 170.25 29.08 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.351 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.08 162.11 14.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.999 0.428 . . . . 0.0 110.971 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.465 ' OD1' ' HB ' ' B' ' 108' ' ' ILE . 8.5 p-10 -166.62 -176.41 3.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.052 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -157.88 116.98 3.21 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.752 0.311 . . . . 0.0 111.157 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.439 HD12 ' O ' ' B' ' 42' ' ' ASN . 12.7 tp -73.66 132.6 42.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.34 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.566 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 23.5 mt-10 -127.25 127.39 44.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 0.0 111.538 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.599 ' HG ' HD23 ' B' ' 40' ' ' LEU . 5.2 mp -136.17 156.67 48.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.438 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 34.1 m -141.44 157.82 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 111.224 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -104.74 93.37 4.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.532 ' HD3' ' HG3' ' B' ' 100' ' ' PRO . 37.8 ptt180 -163.7 -175.13 3.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.087 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.464 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 65.3 mtt180 -81.34 122.8 81.47 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 21.5 Cg_exo -66.28 -13.23 38.98 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.936 2.424 . . . . 0.0 113.602 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 94' ' ' TRP . . . . . 0.464 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 39.3 p90 -100.09 21.75 12.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.349 . . . . 0.0 111.123 -179.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.417 ' HB3' ' HB2' ' B' ' 98' ' ' ALA . 10.9 mm-40 -122.22 109.99 15.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.02 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -65.56 103.26 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 55.46 79.92 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.1 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.417 ' HB2' ' HB3' ' B' ' 95' ' ' GLU . . . -120.95 136.82 54.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.754 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.415 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 12.2 mm-40 -49.13 106.03 0.58 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.203 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 100' ' ' PRO . . . . . 0.532 ' HG3' ' HD3' ' B' ' 91' ' ' ARG . 2.2 Cg_endo -84.23 143.31 10.07 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.983 2.455 . . . . 0.0 112.21 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.16 -61.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.779 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.25 -163.25 1.02 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.36 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.7 p -174.66 158.16 2.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.049 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.51 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 46.6 t80 -147.84 145.5 28.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.812 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 45.6 t -165.18 131.85 2.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' CYS . . . . . 0.431 ' HB3' ' HB3' ' B' ' 13' ' ' CYS . 90.8 m -149.62 147.06 27.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.68 156.95 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.747 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' ILE . . . . . 0.659 HG12 ' HB2' ' B' ' 16' ' ' LEU . 97.0 mt -145.34 141.23 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.425 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -139.6 139.04 36.67 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.674 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 5.2 t -112.3 160.62 11.63 Favored 'Isoleucine or valine' 0 C--N 1.337 0.065 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.542 178.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.539 ' H ' ' HA ' ' B' ' 19' ' ' THR . 27.7 mmt180 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.659 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -172.48 152.41 16.65 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.567 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 80.2 p -143.06 125.05 15.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.855 0.359 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 47.1 t -87.37 133.71 33.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -107.1 128.23 54.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -86.29 121.65 29.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -67.79 149.66 49.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.008 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -116.74 -37.28 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.958 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -157.17 -60.8 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -85.95 126.25 33.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 47.6 t -97.52 148.06 23.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 53.0 m -88.13 175.83 7.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -142.3 65.18 0.49 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.453 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 52.8 tp -83.55 151.8 25.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.793 0.33 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 35.7 m -60.21 148.48 78.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -67.92 -71.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.681 2.254 . . . . 0.0 112.416 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -4' ' ' ARG . . . . . 0.445 ' HE ' ' HA ' ' B' ' -4' ' ' ARG . 3.7 mmp_? -114.87 14.43 17.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.134 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -84.29 43.24 3.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.661 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 79.9 p -151.31 6.7 0.49 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.787 0.327 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -115.28 113.7 24.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -113.7 171.28 7.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.796 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLN . . . . . 0.562 ' HB3' ' HB3' ' B' ' 22' ' ' GLN . 2.1 mp0 -97.71 155.25 17.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.774 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 0.0 OUTLIER -105.98 143.72 27.46 Favored Pre-proline 0 CA--C 1.517 -0.31 0 CA-C-O 120.926 0.393 . . . . 0.0 111.059 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.449 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 51.8 Cg_exo -57.1 -44.49 43.55 Favored 'Trans proline' 0 CA--C 1.509 -0.734 0 C-N-CA 122.726 2.284 . . . . 0.0 110.201 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 46.3 t -158.54 80.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 113.94 -1.482 . . . . 0.0 110.32 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 p -67.11 105.5 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.061 0.457 . . . . 0.0 110.652 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.0 m -59.3 162.44 4.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.465 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.522 HD23 ' N ' ' B' ' 8' ' ' ASP . 8.3 tt -142.92 137.66 29.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.556 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.522 ' N ' HD23 ' B' ' 7' ' ' LEU . 18.5 t70 -137.52 -12.53 1.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.464 ' HB2' ' HB2' ' B' ' 12' ' ' ASP . 10.0 m-20 -136.87 154.12 50.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.54 -42.94 86.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.63 -16.49 61.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.708 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.464 ' HB2' ' HB2' ' B' ' 9' ' ' ASP . 21.0 t70 -67.23 -7.09 21.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.3 173.9 7.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.451 ' HA ' ' HD2' ' B' ' 15' ' ' PRO . 74.3 m -102.04 102.57 24.65 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' B' ' 14' ' ' SER . 2.8 Cg_endo -44.96 87.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.76 2.307 . . . . 0.0 113.043 -178.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.705 ' HB3' ' HB3' ' B' ' 109' ' ' GLN . 2.3 mm? 63.39 -91.15 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.881 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 16' ' ' LEU . 41.6 mttp -26.52 101.24 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.359 -1.291 . . . . 0.0 112.19 -179.303 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.671 HD22 HG23 ' B' ' 108' ' ' ILE . 7.6 tp -132.13 -163.76 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.497 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.459 ' H ' ' HG ' ' B' ' 18' ' ' LEU . 19.6 m -158.68 150.9 21.49 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.942 0.401 . . . . 0.0 110.685 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.527 ' HG2' HG12 ' B' ' 78' ' ' VAL . 20.9 mt-30 -78.49 137.18 37.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.846 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.504 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 112.51 29.49 3.15 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.831 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.562 ' HB3' ' HB3' ' B' ' 1' ' ' GLN . 6.6 pt20 -145.07 149.47 35.12 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.975 0.417 . . . . 0.0 110.609 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.541 ' HG2' ' HD3' ' B' ' 77' ' ' ARG . 30.2 mt-10 -121.76 175.17 6.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.461 HD11 ' HB2' ' B' ' 7' ' ' LEU . 9.1 tt -154.6 151.18 28.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.145 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 54.8 t -135.05 104.73 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.835 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.495 HD23 ' HB3' ' B' ' 7' ' ' LEU . 89.4 mt -70.62 136.98 49.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 56.0 m -127.12 93.28 3.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.07 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 mp -119.21 151.32 50.73 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.961 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -79.13 140.11 15.49 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.595 2.197 . . . . 0.0 112.35 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.3 p -161.79 170.08 20.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.075 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -144.05 96.64 5.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.797 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.4 -5.12 7.73 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.615 2.21 . . . . 0.0 112.396 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -91.19 1.9 56.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.398 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.0 p -105.04 -65.04 1.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.36 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.59 -35.4 0.81 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.765 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -87.01 105.61 17.27 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.324 0.583 . . . . 0.0 110.946 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.437 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 14.8 mmm180 -106.01 -158.25 0.65 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.592 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.437 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 94.3 m95 -118.29 112.16 19.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -93.91 155.11 17.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.204 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.537 HD23 ' HG ' ' B' ' 88' ' ' LEU . 16.1 mt -104.1 116.35 32.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.242 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.539 ' HB2' ' HB3' ' B' ' 87' ' ' GLU . 4.2 mmp_? -93.16 -17.41 23.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.27 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.53 ' HB3' ' HB2' ' B' ' 87' ' ' GLU . 63.4 t30 -175.03 88.17 0.31 Allowed Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.722 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.47 ' HB3' HD13 ' B' ' 40' ' ' LEU . 76.2 Cg_endo -76.89 20.33 0.63 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.561 2.174 . . . . 0.0 112.545 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 58.13 27.69 15.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.86 -7.1 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.516 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -74.62 -28.76 61.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.036 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.449 HG23 ' N ' ' B' ' 48' ' ' LEU . 21.4 m -136.58 -45.74 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.466 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.75 HD11 HG21 ' B' ' 108' ' ' ILE . 18.3 mt -80.77 119.7 23.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.554 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.46 ' NZ ' ' HB3' ' B' ' 49' ' ' LYS . 5.5 ttpm? -84.72 138.07 32.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -91.75 143.26 26.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.775 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' B' ' 75' ' ' ARG . 64.1 mt -68.09 -174.59 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.819 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.23 -176.64 3.6 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.652 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -75.94 -166.01 0.34 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.602 2.201 . . . . 0.0 112.48 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 61.23 102.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.089 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 30.8 m -102.06 11.75 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -114.15 157.66 22.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 53.3 m -85.78 -178.84 6.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.758 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -84.5 -49.79 8.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 46.9 t -153.1 163.06 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -138.94 133.43 31.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -99.66 -67.11 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -156.56 126.05 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 79.8 p -152.25 151.4 30.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.6 50.31 2.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 86.1 mt -88.35 172.51 9.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.886 0.374 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -65.83 -27.26 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.971 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -145.39 -178.67 21.11 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.544 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 90.7 p -94.04 -45.58 7.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -147.96 -5.9 0.28 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.525 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.11 81.57 0.63 Allowed Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -151.39 157.97 43.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.859 0.362 . . . . 0.0 110.843 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' SER . . . . . 0.403 ' HG ' ' HD1' ' B' ' 38' ' ' TRP . 52.3 m -94.36 141.85 28.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 63.4 m -140.46 113.72 8.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -113.84 116.08 28.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.501 ' HB3' HD12 ' B' ' 51' ' ' LEU . 0.1 OUTLIER -104.81 135.33 46.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.821 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -139.47 158.22 44.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.242 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.541 ' HD3' ' HG2' ' B' ' 23' ' ' GLU . 7.2 tpt180 -146.8 137.55 23.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.479 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.599 HG22 HD22 ' B' ' 48' ' ' LEU . 17.6 t -85.21 121.99 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.727 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.63 -44.79 4.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.767 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.75 179.92 5.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.022 0.439 . . . . 0.0 111.447 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.79 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 6.3 p -81.73 -167.86 1.68 Allowed 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.835 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.3 155.75 13.66 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.471 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -91.67 143.86 26.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.934 0.397 . . . . 0.0 111.106 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.449 ' OD2' ' HB ' ' B' ' 108' ' ' ILE . 2.5 p-10 -159.19 177.13 11.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.816 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -156.7 102.65 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.517 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.44 ' HB3' ' HB3' ' B' ' 106' ' ' CYS . 10.9 tp -53.23 146.05 12.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.531 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.539 ' HB3' ' HB2' ' B' ' 41' ' ' ARG . 4.4 mm-40 -143.87 116.98 8.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.924 0.393 . . . . 0.0 111.718 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.537 ' HG ' HD23 ' B' ' 40' ' ' LEU . 5.8 mp -131.15 146.53 52.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.14 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.513 HG21 ' HE ' ' B' ' 91' ' ' ARG . 14.9 m -138.8 163.75 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.742 0.306 . . . . 0.0 111.155 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' TYR . . . . . 0.492 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 44.9 t80 -110.93 96.82 6.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.211 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.513 ' HE ' HG21 ' B' ' 89' ' ' VAL . 27.3 ptt180 -166.98 167.16 14.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.709 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.526 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 89.7 mtt180 -60.04 119.72 44.23 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.512 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.34 -28.7 85.68 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.789 2.326 . . . . 0.0 113.55 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' TRP . . . . . 0.526 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 13.3 p90 -79.86 14.62 1.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.67 0.271 . . . . 0.0 111.581 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.501 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 41.9 mt-10 -112.76 123.27 49.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.778 0.323 . . . . 0.0 110.774 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' B' ' 96' ' ' LYS . 13.0 mptt -67.55 -51.35 51.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.794 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -141.66 105.25 4.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.491 ' H ' ' NH1' ' B' ' 91' ' ' ARG . . . -148.5 129.27 14.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.793 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.453 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 36.7 mt-10 -54.46 117.8 14.49 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.064 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 100' ' ' PRO . . . . . 0.492 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 9.4 Cg_endo -87.9 165.82 7.28 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 123.214 2.609 . . . . 0.0 112.263 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.87 -30.57 21.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.025 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.492 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 27.9 mt-10 -125.55 -172.3 2.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.091 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 79.8 p -173.14 162.17 4.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.726 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.493 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 59.1 t80 -156.31 150.21 25.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.399 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 86.7 p -159.93 123.23 3.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.323 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' CYS . . . . . 0.44 ' HB3' ' HB3' ' B' ' 86' ' ' LEU . 53.2 t -113.64 131.29 56.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.521 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.56 118.05 21.81 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.93 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' ILE . . . . . 0.75 HG21 HD11 ' B' ' 48' ' ' LEU . 20.0 mt -140.41 115.69 7.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' GLN . . . . . 0.705 ' HB3' ' HB3' ' B' ' 16' ' ' LEU . 53.2 tt0 -135.41 112.99 10.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.25 178.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.79 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 3.4 t -95.17 162.78 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.236 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.547 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 24.3 tpt180 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.352 -0.832 . . . . 0.0 110.748 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.781 0.324 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -100.6 -33.55 5.03 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 47.5 t -141.78 156.83 45.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.765 0.316 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 47.8 t -128.2 -19.82 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -155.47 125.73 6.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -73.94 -167.59 0.51 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 74.2 t60 63.59 108.11 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 31.7 m80 60.53 -176.97 0.11 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.048 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -72.07 -179.09 2.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.977 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -64.99 159.3 23.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 53.9 m -119.35 128.69 54.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.807 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.8 t -95.44 121.36 37.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.056 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -105.54 95.23 1.06 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.443 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 22.7 tp -114.34 14.03 17.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.644 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 96.0 t -55.47 113.74 6.1 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.053 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.61 168.94 6.05 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.403 2.069 . . . . 0.0 112.33 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -98.89 -13.82 19.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -154.45 -147.65 4.74 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.577 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 41.3 t -87.0 170.81 11.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -93.84 -22.16 18.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 26.1 mmt -67.9 -71.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 61.57 -83.59 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.216 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.509 ' CB ' ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -114.51 133.58 22.47 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.165 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.522 ' HG2' ' HG3' ' B' ' 22' ' ' GLN . 5.8 Cg_exo -76.05 -40.24 0.72 Allowed 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 122.943 2.429 . . . . 0.0 112.404 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 17.9 m -148.64 5.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.708 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.509 ' HB ' ' CB ' ' B' ' 2' ' ' LYS . 54.5 t -51.37 -37.5 18.73 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 121.429 0.633 . . . . 0.0 111.048 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.86 145.35 32.26 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.679 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.559 HD23 HD21 ' B' ' 26' ' ' LEU . 44.2 tp -167.26 152.94 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.094 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -162.26 14.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -139.47 159.53 41.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.831 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.55 -34.9 9.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.386 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.94 -27.21 68.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.134 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -83.19 10.79 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 77.6 m -96.23 134.91 38.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.02 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 4.1 p -164.51 161.02 15.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.699 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.8 75.48 0.31 Allowed 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.267 1.978 . . . . 0.0 111.602 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.5 HD12 ' H ' ' B' ' 17' ' ' LYS . 56.5 tp -90.32 149.65 22.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.638 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.5 ' H ' HD12 ' B' ' 16' ' ' LEU . 41.4 mttm -83.1 134.94 34.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.378 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.51 ' H ' ' HA ' ' B' ' 110' ' ' VAL . 0.4 OUTLIER -122.64 -165.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.493 -179.355 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.3 m -160.21 147.99 16.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.509 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -60.47 111.25 1.51 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 141.94 -7.59 2.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.546 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.522 ' HG3' ' HG2' ' B' ' 3' ' ' PRO . 77.3 mm-40 -105.51 -170.57 1.76 Allowed 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.827 0.346 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.462 ' HB2' HG22 ' B' ' 5' ' ' VAL . 43.3 mt-10 -150.47 -167.3 2.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.508 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.524 HD23 ' N ' ' B' ' 25' ' ' VAL . 5.7 tt -163.53 128.74 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.927 179.398 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.524 ' N ' HD23 ' B' ' 24' ' ' LEU . 48.0 t -126.5 140.8 47.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.977 0.418 . . . . 0.0 111.4 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.559 HD21 HD23 ' B' ' 7' ' ' LEU . 47.9 mt -126.1 126.07 43.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.846 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.416 ' C ' HD22 ' B' ' 28' ' ' LEU . 63.8 m -129.02 97.68 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.328 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.462 HD22 ' N ' ' B' ' 28' ' ' LEU . 3.1 mm? -117.45 158.23 45.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.628 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.69 142.18 20.17 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.572 2.181 . . . . 0.0 112.233 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -152.83 -51.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.194 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 61.07 98.4 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.39 -13.06 6.76 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.56 2.173 . . . . 0.0 112.596 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 79.2 p -69.48 -4.53 19.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.281 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 59.1 p -102.81 -69.17 0.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.298 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.88 -36.99 1.29 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.923 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -79.71 100.03 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.116 0.484 . . . . 0.0 110.971 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.436 HH22 ' HA ' ' B' ' 72' ' ' SER . 17.0 mmm180 -92.34 -155.1 0.41 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.864 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.412 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 92.8 m95 -129.62 117.17 19.96 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.94 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -98.22 152.72 19.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.981 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.447 HD23 ' HG ' ' B' ' 88' ' ' LEU . 94.2 mt -95.63 107.12 19.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.274 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -79.29 -18.87 51.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.358 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.58 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 10.3 t30 -173.28 90.38 0.37 Allowed Pre-proline 0 CA--C 1.53 0.205 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.648 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.412 ' HB3' HD13 ' B' ' 40' ' ' LEU . 73.8 Cg_endo -74.0 8.91 1.86 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.585 2.19 . . . . 0.0 112.522 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 52.94 30.87 9.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.64 -8.66 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.364 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 53.5 m -65.96 -30.14 70.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.48 HG23 ' HG ' ' B' ' 48' ' ' LEU . 34.7 m -131.66 -39.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.674 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.547 HD22 HG22 ' B' ' 78' ' ' VAL . 18.8 mt -90.01 123.22 33.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.836 0.35 . . . . 0.0 110.741 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.468 ' NZ ' ' HE ' ' B' ' 77' ' ' ARG . 5.0 ttpm? -75.63 151.93 37.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -101.33 145.92 28.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.034 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' B' ' 77' ' ' ARG . 8.0 mp -107.63 142.07 38.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.2 166.02 4.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.605 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.39 -57.89 1.41 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.781 2.321 . . . . 0.0 112.37 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -136.66 -64.56 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.3 m -132.3 164.49 34.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 58.13 -173.29 0.09 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.048 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -131.46 -69.22 0.63 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -141.6 -71.41 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.1 m -152.46 3.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 58.78 -175.01 0.09 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.276 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -126.12 -65.49 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.758 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -89.52 109.83 20.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.656 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.7 m -63.71 102.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.81 34.41 4.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.991 -0.624 . . . . 0.0 112.164 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 58.7 mt -61.46 121.46 12.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.376 . . . . 0.0 110.94 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.7 p -98.13 -22.43 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.6 2.83 87.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.547 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 40.5 m 59.41 16.94 5.52 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.814 0.34 . . . . 0.0 111.16 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.94 100.69 0.28 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.587 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.99 126.62 0.17 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.537 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -160.92 176.03 11.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' SER . . . . . 0.436 ' HA ' HH22 ' B' ' 37' ' ' ARG . 47.7 t -93.45 122.46 35.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 71.0 m -125.88 128.15 47.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -126.5 136.41 52.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.755 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -143.34 124.95 14.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.048 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -137.28 144.24 42.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.919 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.509 ' HB2' HD11 ' B' ' 51' ' ' LEU . 4.1 tmm_? -117.33 129.84 56.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.323 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.547 HG22 HD22 ' B' ' 48' ' ' LEU . 11.0 t -68.82 110.75 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.245 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -116.47 -10.55 11.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.393 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.421 ' HB3' ' HA ' ' B' ' 47' ' ' VAL . . . -144.55 157.78 44.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.059 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.543 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 58.4 m -99.3 168.29 10.12 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 121.12 0.486 . . . . 0.0 110.697 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 136.48 170.96 12.11 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.662 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -93.46 112.47 24.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.958 0.409 . . . . 0.0 110.82 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.424 ' OD2' ' HB ' ' B' ' 108' ' ' ILE . 9.8 p-10 -127.85 -173.29 2.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.001 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -166.89 104.45 0.57 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.091 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.552 ' HG ' HD12 ' B' ' 108' ' ' ILE . 13.1 mt -59.75 141.36 55.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 110.676 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.58 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 25.4 mt-10 -140.07 128.91 23.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.984 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.447 ' HG ' HD23 ' B' ' 40' ' ' LEU . 5.0 mp -136.82 167.29 21.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.33 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.482 HG22 ' N ' ' B' ' 90' ' ' TYR . 7.4 p -150.78 158.38 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.133 0.492 . . . . 0.0 111.426 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 90' ' ' TYR . . . . . 0.543 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 26.9 t80 -103.14 101.02 10.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.925 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.411 ' HD3' ' HB3' ' B' ' 100' ' ' PRO . 38.8 ptt180 -165.53 174.92 9.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.513 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 99.1 mtt180 -78.76 133.3 62.53 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.714 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 93' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 16.7 Cg_exo -68.01 -47.22 1.88 Allowed 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.711 2.274 . . . . 0.0 113.11 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 94' ' ' TRP . . . . . 0.513 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 12.7 p90 -57.88 -25.78 61.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.553 -179.31 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -72.65 104.95 4.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.89 0.376 . . . . 0.0 110.744 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -71.32 100.69 2.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.736 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 57.1 88.66 0.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.822 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.44 156.66 48.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.55 110.99 3.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.006 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' PRO . . . . . 0.411 ' HB3' ' HD3' ' B' ' 91' ' ' ARG . 90.5 Cg_endo -84.62 -166.4 0.35 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.574 2.183 . . . . 0.0 112.425 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.56 -82.48 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.543 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 0.6 OUTLIER -69.46 -166.2 0.09 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.251 0.548 . . . . 0.0 111.252 179.821 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 79.4 p -175.5 155.0 1.73 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.703 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -151.17 102.88 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 79.3 p -119.44 146.35 45.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.105 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 96.4 m -146.89 136.65 23.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.57 146.57 25.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' ILE . . . . . 0.552 HD12 ' HG ' ' B' ' 86' ' ' LEU . 88.7 mt -148.48 137.58 15.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.544 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -142.18 157.07 45.28 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.235 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.543 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 0.3 OUTLIER -136.6 -153.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.309 179.756 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.427 ' H ' HG12 ' B' ' 110' ' ' VAL . 31.4 mmt180 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.119 -0.943 . . . . 0.0 111.091 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 59.1 ttp . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.828 0.347 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -172.11 -38.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.488 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 54.5 m -129.06 151.59 49.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.761 0.315 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 48.2 t -138.12 115.45 11.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -90.74 -179.58 5.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -15' ' ' HIS . . . . . 0.441 ' HB2' ' HB2' ' B' ' -12' ' ' HIS . 69.7 m-70 -123.76 -170.08 2.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 65.6 m80 -94.29 93.08 7.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.147 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 64.9 m80 60.94 12.07 3.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.507 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -12' ' ' HIS . . . . . 0.441 ' HB2' ' HB2' ' B' ' -15' ' ' HIS . 94.1 m-70 -98.17 135.02 40.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 110.816 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -143.54 146.27 33.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.1 p -102.18 -51.13 3.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.5 t -133.12 140.96 47.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 142.47 48.93 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.438 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 69.7 mt -86.46 -8.55 57.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.85 0.357 . . . . 0.0 110.92 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 32.9 m -87.15 151.09 51.0 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -61.33 172.69 3.12 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.573 2.182 . . . . 0.0 112.212 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -65.5 -58.55 5.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -117.45 157.09 15.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.454 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 47.7 t -100.37 103.73 15.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -141.14 177.3 8.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.803 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 69.6 mtm -65.62 -27.04 68.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.803 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -74.98 145.81 42.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.483 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -128.65 151.56 77.2 Favored Pre-proline 0 CA--C 1.514 -0.44 0 CA-C-O 121.403 0.621 . . . . 0.0 111.887 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.12 -29.31 65.22 Favored 'Trans proline' 0 CA--C 1.507 -0.864 0 C-N-CA 123.109 2.539 . . . . 0.0 110.291 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.66 HG22 ' HB2' ' B' ' 23' ' ' GLU . 3.6 t -154.6 80.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 114.29 -1.323 . . . . 0.0 110.932 179.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' B' ' 24' ' ' LEU . 12.5 m -64.68 165.1 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.164 179.29 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -126.51 161.79 27.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.004 0.43 . . . . 0.0 111.607 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 57.8 tp -137.21 148.95 46.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.641 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -171.68 19.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ASP . . . . . 0.483 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 11.1 m-20 -102.27 -50.07 3.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' B' ' 9' ' ' ASP . . . 75.43 -46.98 0.59 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.481 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -77.5 -27.05 51.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 110.685 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -80.37 1.45 28.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.656 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 67.3 m -63.98 129.84 41.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.519 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.548 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 16.5 m -159.95 163.35 22.68 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.951 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.548 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 20.3 Cg_endo -61.4 79.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.046 1.831 . . . . 0.0 111.699 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' B' ' 14' ' ' SER . 40.1 tp -80.51 142.93 33.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.652 -179.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -92.65 115.76 28.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.54 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.443 ' H ' ' HA ' ' B' ' 110' ' ' VAL . 10.9 mp -108.98 -168.72 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.048 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.7 m -158.81 145.38 17.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.295 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -52.52 104.2 0.08 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.702 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.507 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 146.29 13.06 0.19 Allowed Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.879 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -129.79 144.19 51.18 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.66 ' HB2' HG22 ' B' ' 4' ' ' VAL . 45.2 mt-10 -122.43 -176.59 3.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.943 0.401 . . . . 0.0 111.556 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' B' ' 75' ' ' ARG . 1.4 mt -152.96 146.2 24.76 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.004 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 97.2 t -145.04 92.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.325 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.9 tp -98.09 127.96 44.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.246 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -120.1 140.83 50.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 95.9 mt -142.16 129.33 11.3 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.782 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.72 144.61 94.22 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.493 2.128 . . . . 0.0 112.282 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.407 ' HB3' ' HE1' ' B' ' 38' ' ' TRP . 76.6 p -139.17 175.23 9.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.767 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -132.02 86.0 48.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.814 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -62.27 -7.16 9.62 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.542 2.161 . . . . 0.0 112.42 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 76.3 p -87.12 8.26 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.387 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 69.8 p -115.83 -66.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.388 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.88 -20.27 1.79 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.893 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -88.18 97.3 10.92 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.099 0.476 . . . . 0.0 111.027 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.547 ' HB2' ' HD3' ' B' ' 93' ' ' PRO . 0.6 OUTLIER -88.38 -152.93 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.479 179.477 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.407 ' HE1' ' HB3' ' B' ' 30' ' ' SER . 96.3 m95 -121.0 120.82 36.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -109.15 126.5 53.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.545 ' HG ' ' HG ' ' B' ' 88' ' ' LEU . 1.2 tt -95.48 109.34 21.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.549 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -75.53 -68.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.56 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 51.7 t-20 -102.34 99.3 12.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -79.0 -3.92 13.54 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.505 2.137 . . . . 0.0 112.665 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.434 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 55.68 27.6 10.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.8 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.71 -5.91 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.348 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -68.28 -35.97 78.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 28.3 m -132.83 3.94 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.625 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' B' ' 44' ' ' ALA . 92.4 mt -126.64 124.97 41.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.97 0.414 . . . . 0.0 111.353 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.499 ' O ' HD12 ' B' ' 51' ' ' LEU . 16.7 mmtt -111.68 -163.4 0.85 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.569 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.553 ' HB2' ' HB3' ' B' ' 77' ' ' ARG . 29.0 tpt180 69.22 14.47 8.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.047 0.451 . . . . 0.0 111.532 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.499 HD12 ' O ' ' B' ' 49' ' ' LYS . 8.4 mp -73.97 103.81 4.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.671 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.48 179.37 53.15 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.685 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -79.32 -169.12 0.73 Allowed 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.838 2.359 . . . . 0.0 112.449 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -77.5 135.46 38.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.813 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.406 ' O ' HG22 ' B' ' 55' ' ' VAL . 9.9 p -84.36 7.8 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.054 0.454 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -131.11 20.26 4.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.69 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 52.1 m -56.65 162.51 2.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.994 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.9 -54.21 47.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 54.1 m -81.73 121.11 25.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.945 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -154.56 137.97 15.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -81.93 -70.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -113.15 116.76 30.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.0 m -110.02 107.35 17.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.17 17.02 48.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.335 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 67.0 mt -67.9 135.23 52.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.722 0.296 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 83.6 t -142.26 -78.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.212 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.47 -104.0 0.22 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.497 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 38.6 m -142.67 0.64 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.887 0.375 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 138.98 54.49 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.507 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.66 127.81 4.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.406 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -144.0 145.03 31.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 111.118 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 42.7 t -111.74 170.22 8.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 58.7 m -154.95 138.18 15.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.947 0.403 . . . . 0.0 111.412 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 7.1 m-90 -138.37 112.38 8.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.406 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.471 ' HA ' ' O ' ' B' ' 24' ' ' LEU . 29.7 ptt180 -119.33 139.25 52.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.665 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.493 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -148.26 178.46 8.55 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.691 179.634 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.581 ' HB2' ' HG2' ' B' ' 23' ' ' GLU . 9.3 tpt180 -152.33 141.27 21.14 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.321 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 93.9 t -71.55 95.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.876 0.37 . . . . 0.0 110.737 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.456 ' HB2' ' HB2' ' B' ' 49' ' ' LYS . . . -69.07 -50.06 51.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.239 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.52 -176.94 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.964 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.729 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 58.6 m -73.76 -165.06 0.25 Allowed 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.773 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.22 163.6 26.55 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.483 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -100.43 162.15 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.634 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -168.85 -179.84 3.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.524 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -160.18 104.89 1.5 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.469 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.402 HD12 ' O ' ' B' ' 42' ' ' ASN . 10.2 tp -67.87 125.08 25.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.637 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.56 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 17.2 mt-10 -122.21 116.5 24.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.117 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.545 ' HG ' ' HG ' ' B' ' 40' ' ' LEU . 5.3 mp -121.29 156.21 33.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.66 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 32.8 m -142.7 161.76 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -111.24 102.43 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.77 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.474 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 23.7 ptt180 -159.38 177.08 11.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.791 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.496 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 54.0 mtt180 -63.05 145.08 97.04 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.41 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 93' ' ' PRO . . . . . 0.547 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 78.7 Cg_endo -82.46 -2.75 11.19 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.782 2.321 . . . . 0.0 113.621 -178.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 94' ' ' TRP . . . . . 0.496 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 18.8 p90 -115.98 18.59 15.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.754 0.312 . . . . 0.0 111.43 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -114.72 122.67 47.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -91.11 106.99 18.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.675 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' ASP . . . . . 0.407 ' H ' HH12 ' B' ' 91' ' ' ARG . 21.1 t70 57.48 81.12 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.041 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.1 177.45 7.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.473 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 40.9 mt-10 -77.06 113.05 27.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.059 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 100' ' ' PRO . . . . . 0.474 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 11.3 Cg_endo -91.13 158.99 3.85 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 123.413 2.742 . . . . 0.0 112.455 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.36 -71.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.797 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -87.9 -163.37 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.053 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.5 p -174.59 158.79 2.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.43 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 56.9 t80 -154.15 148.81 26.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.826 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 78.1 p -159.95 140.42 11.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.765 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -149.88 135.78 18.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 111.404 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.16 138.56 31.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.063 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 98.3 mt -140.99 145.46 25.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.938 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -149.11 161.36 42.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.584 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.729 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 15.8 t -136.44 155.52 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.93 0.395 . . . . 0.0 111.092 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.418 ' N ' HG12 ' B' ' 110' ' ' VAL . 28.8 mmt180 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.144 -0.931 . . . . 0.0 110.995 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.73 0.3 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 106.23 -65.09 0.27 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.527 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 53.1 m -99.66 136.36 39.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.764 0.316 . . . . 0.0 110.95 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 53.2 m -97.19 162.66 13.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -132.83 -3.68 3.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.008 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -125.56 -18.03 5.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -83.75 113.53 20.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -73.45 153.37 40.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -63.68 -44.07 94.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -144.57 109.92 5.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 79.7 p -164.44 -22.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 49.6 m -89.85 171.54 9.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 137.76 51.6 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.444 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 85.1 mt 58.49 -173.61 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.894 0.378 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -6' ' ' VAL . . . . . 0.475 ' HA ' ' HD3' ' B' ' -5' ' ' PRO . 7.6 p -143.79 129.6 9.97 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' -5' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' B' ' -6' ' ' VAL . 5.7 Cg_exo -73.93 159.05 45.52 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.691 2.261 . . . . 0.0 112.126 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -99.19 -78.81 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.7 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 52.94 -150.11 10.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.732 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 78.9 p -162.94 108.75 1.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.768 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -126.43 -179.27 4.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 26.0 mmt -82.64 -14.07 55.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -103.76 151.47 23.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.83 ' O ' HG23 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -144.83 157.86 53.97 Favored Pre-proline 0 CA--C 1.512 -0.493 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.94 179.888 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.439 ' HD2' ' CD ' ' B' ' 2' ' ' LYS . 54.3 Cg_exo -56.13 -8.05 2.2 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 122.355 2.036 . . . . 0.0 109.531 176.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.83 HG23 ' O ' ' B' ' 2' ' ' LYS . 36.6 t 35.05 87.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 113.791 -1.549 . . . . 0.0 111.513 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 m -57.04 159.38 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.166 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.42 -175.95 3.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.513 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 67.1 tp -168.98 149.53 4.34 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.618 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -162.85 -27.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.177 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -79.61 109.81 14.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.959 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.54 ' C ' ' H ' ' B' ' 12' ' ' ASP . . . -72.48 157.11 38.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 t70 63.39 -13.8 0.08 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.132 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.54 ' H ' ' C ' ' B' ' 10' ' ' ALA . 23.5 t70 -83.36 7.6 16.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.148 0.499 . . . . 0.0 109.869 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 12.9 m -88.19 170.9 10.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.789 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.501 ' O ' ' N ' ' B' ' 16' ' ' LEU . 27.9 m -164.43 165.15 13.15 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.259 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.466 ' HB3' ' NE2' ' B' ' 109' ' ' GLN . 53.1 Cg_exo -52.89 81.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.056 1.837 . . . . 0.0 111.792 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' B' ' 14' ' ' SER . 5.9 mt -51.74 163.01 0.35 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.507 0.67 . . . . 0.0 112.622 -179.207 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -133.98 77.6 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.214 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.404 HD13 ' HB3' ' B' ' 16' ' ' LEU . 10.9 mp -92.84 -169.13 2.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.181 -179.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.1 m -157.59 156.04 31.21 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.088 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -49.63 100.71 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.01 24.23 0.99 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.287 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.639 ' HA ' ' HD2' ' B' ' 2' ' ' LYS . 19.1 mm-40 -115.19 105.05 12.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.708 0.29 . . . . 0.0 111.021 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.821 ' HB2' HG22 ' B' ' 4' ' ' VAL . 27.2 mt-10 -80.09 159.77 26.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.058 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.505 HD23 ' N ' ' B' ' 25' ' ' VAL . 3.6 tt -159.44 132.33 6.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.505 ' N ' HD23 ' B' ' 24' ' ' LEU . 88.7 t -128.31 116.4 41.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.749 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.544 ' HB2' ' HB2' ' B' ' 74' ' ' TRP . 44.4 mt -93.11 155.67 17.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.0 0.429 . . . . 0.0 111.357 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 67.7 m -157.07 103.3 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.447 HD22 ' N ' ' B' ' 28' ' ' LEU . 3.6 mm? -104.03 148.38 35.79 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.744 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -79.78 119.69 4.08 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.497 2.132 . . . . 0.0 112.335 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 87.9 p -124.49 -174.78 3.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -135.59 92.82 16.76 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' PRO . . . . . 0.409 ' HB3' HH12 ' B' ' 37' ' ' ARG . 32.8 Cg_exo -60.03 -13.96 25.86 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.51 2.14 . . . . 0.0 112.44 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 53.6 m -76.45 -30.33 57.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.2 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 40.7 p -87.48 -74.16 0.45 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.559 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.51 -17.94 1.14 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.712 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -82.74 98.99 9.38 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.47 0.652 . . . . 0.0 110.921 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.409 HH12 ' HB3' ' B' ' 32' ' ' PRO . 0.8 OUTLIER -95.58 -158.63 0.66 Allowed 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.26 179.155 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -120.78 117.4 27.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.41 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -100.64 146.44 27.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.607 ' HG ' ' HG ' ' B' ' 88' ' ' LEU . 0.8 OUTLIER -108.13 103.53 12.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.599 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.473 ' NE ' ' HA ' ' B' ' 41' ' ' ARG . 4.0 mmp_? -71.57 -66.86 0.57 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.156 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -109.11 94.18 14.54 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.661 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.456 ' HB2' HD21 ' B' ' 51' ' ' LEU . 88.1 Cg_endo -81.63 9.71 3.79 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.593 2.195 . . . . 0.0 112.921 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.561 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 55.37 32.92 19.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.588 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.12 -15.02 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.784 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 48.1 t -68.88 -14.96 63.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.039 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.426 HG23 ' HG ' ' B' ' 48' ' ' LEU . 32.8 m -142.99 -10.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.101 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' B' ' 44' ' ' ALA . 80.0 mt -115.59 120.85 40.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.064 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.426 ' C ' HD12 ' B' ' 51' ' ' LEU . 0.0 OUTLIER -113.78 -166.86 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.577 179.839 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.575 ' HB3' ' H ' ' B' ' 77' ' ' ARG . 54.9 ttt180 69.71 24.91 5.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.903 0.383 . . . . 0.0 111.335 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' B' ' 43' ' ' PRO . 7.3 mp -85.29 118.38 24.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.451 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -137.83 169.2 24.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.795 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' PRO . . . . . 0.413 ' HB2' ' H ' ' B' ' 54' ' ' GLU . 66.1 Cg_endo -87.08 -146.17 0.03 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 123.103 2.535 . . . . 0.0 112.351 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.413 ' H ' ' HB2' ' B' ' 53' ' ' PRO . 42.8 mt-10 66.03 111.83 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.024 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.437 HG12 ' HB ' ' B' ' 73' ' ' THR . 16.4 m -114.87 155.9 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.072 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 64.32 151.0 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.267 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 57.0 m -155.67 112.28 3.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -95.84 160.29 14.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.2 m -149.14 -61.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -129.8 16.61 5.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -89.11 -178.65 5.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -111.82 -17.27 12.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 55.1 m -130.03 -177.72 4.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.07 69.08 2.17 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.566 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.531 HD22 ' HA2' ' B' ' 69' ' ' GLY . 75.0 mt -109.54 130.96 55.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.1 p -97.81 -20.01 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -153.11 -77.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 41.5 m -133.99 6.85 3.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' GLY . . . . . 0.531 ' HA2' HD22 ' B' ' 65' ' ' LEU . . . 153.91 -153.68 24.99 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.484 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.29 105.65 0.93 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.374 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -140.16 148.15 41.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.893 0.378 . . . . 0.0 111.095 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 80.5 p -76.2 -175.72 3.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.77 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.437 ' HB ' HG12 ' B' ' 55' ' ' VAL . 56.5 m -153.42 123.74 7.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.16 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.544 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 76.7 m95 -134.0 132.65 40.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.635 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -136.21 134.54 38.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.173 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.49 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 1.4 p90 -168.04 149.83 5.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.575 ' H ' ' HB3' ' B' ' 50' ' ' ARG . 1.5 tmm_? -129.36 143.27 50.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.725 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.479 ' N ' ' HD2' ' B' ' 77' ' ' ARG . 42.9 t -62.78 116.91 3.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.543 -179.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.12 -36.16 12.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.409 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -152.39 172.56 16.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.093 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.745 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 25.8 p -75.66 -170.67 1.34 Allowed 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.136 0.493 . . . . 0.0 111.023 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.02 152.75 8.47 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.555 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -100.88 111.86 24.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.854 0.359 . . . . 0.0 111.026 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -137.6 -170.97 2.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.654 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -150.91 149.76 30.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.782 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 9.2 tp -96.82 144.81 26.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.355 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -141.8 109.81 5.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.859 0.362 . . . . 0.0 111.762 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.607 ' HG ' ' HG ' ' B' ' 40' ' ' LEU . 6.8 mp -121.08 157.03 30.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.336 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.603 HG21 ' HE ' ' B' ' 91' ' ' ARG . 15.4 m -143.23 171.77 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.732 0.301 . . . . 0.0 111.225 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 90' ' ' TYR . . . . . 0.468 ' CB ' ' HB2' ' B' ' 102' ' ' GLU . 44.1 t80 -116.37 97.4 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.393 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.603 ' HE ' HG21 ' B' ' 89' ' ' VAL . 18.9 ptt180 -167.53 167.85 13.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.554 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 40.7 mtt180 -60.74 122.96 72.26 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.651 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 93' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 35.8 Cg_exo -62.0 -27.89 79.97 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.711 2.274 . . . . 0.0 113.325 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 94' ' ' TRP . . . . . 0.48 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 18.1 p90 -81.15 19.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.674 0.273 . . . . 0.0 111.691 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.554 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 46.7 mt-10 -112.23 125.08 53.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.831 0.348 . . . . 0.0 110.845 179.417 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -62.53 -51.43 67.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.954 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 97' ' ' ASP . . . . . 0.432 ' HA ' HH12 ' B' ' 91' ' ' ARG . 16.7 t70 -151.83 110.66 3.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.495 ' H ' ' NH1' ' B' ' 91' ' ' ARG . . . -138.23 -176.82 4.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.769 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -103.9 99.03 14.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.96 132.58 23.31 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.515 2.143 . . . . 0.0 112.247 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.41 -48.65 80.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.35 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.468 ' HB2' ' CB ' ' B' ' 90' ' ' TYR . 25.0 mt-10 -103.87 -170.7 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.1 p -167.88 161.03 12.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.63 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.561 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 66.6 t80 -155.41 155.13 33.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.472 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 28.7 t -167.61 140.72 3.36 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.499 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 20.0 t -144.54 113.53 6.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.676 0.274 . . . . 0.0 111.412 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.7 134.2 55.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.601 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 27.1 mt -138.17 116.35 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.703 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' GLN . . . . . 0.466 ' NE2' ' HB3' ' B' ' 15' ' ' PRO . 77.5 mt-30 -123.68 137.71 54.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.744 178.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.745 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 18.7 t -128.37 156.22 40.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.195 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.574 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 34.0 mmt180 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.025 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.73 0.3 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 85.17 177.03 50.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.49 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 80.2 p -83.39 144.33 29.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.833 0.349 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 53.4 m -144.63 8.25 1.31 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -65.63 -21.66 66.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -85.09 138.36 32.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -73.07 120.93 19.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -149.67 -33.97 0.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -136.41 -30.68 0.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -61.57 117.25 5.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 50.4 m -86.13 116.41 24.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.3 t -99.04 -28.8 13.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -155.68 -17.98 0.04 OUTLIER Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.589 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 60.3 tp -92.8 112.6 24.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.766 0.317 . . . . 0.0 110.963 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 18.4 m -134.31 151.31 76.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.054 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.81 172.45 1.14 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.578 2.185 . . . . 0.0 112.324 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -69.27 176.12 3.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.956 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -127.63 142.28 13.37 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 61.7 m -96.65 -165.01 1.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.77 0.319 . . . . 0.0 110.812 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -56.16 141.15 41.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 49.4 ttm -140.64 142.58 34.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.088 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLN . . . . . 0.6 ' HB3' ' HB3' ' B' ' 22' ' ' GLN . 12.8 mm100 -82.31 -165.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.484 ' HE3' ' H ' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -102.55 153.58 38.05 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-O 120.9 0.381 . . . . 0.0 111.815 -179.754 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.467 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 72.2 Cg_endo -70.7 -11.14 29.16 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.671 2.247 . . . . 0.0 111.362 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.649 ' HB ' ' HB2' ' B' ' 23' ' ' GLU . 1.7 p 163.67 99.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.797 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.424 ' O ' HD12 ' B' ' 24' ' ' LEU . 2.5 p -83.72 103.49 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.048 0.451 . . . . 0.0 110.228 179.245 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.12 164.33 24.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.777 -178.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 62.9 tp -142.38 146.6 35.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.595 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -136.83 -42.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -88.05 159.12 18.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.77 -3.88 9.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -79.57 -18.39 51.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -93.83 -4.42 50.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 73.0 m -59.85 135.19 57.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.136 0.493 . . . . 0.0 111.175 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.444 ' HB2' ' HD2' ' B' ' 15' ' ' PRO . 6.7 p -173.43 163.06 3.33 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.07 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' B' ' 14' ' ' SER . 18.9 Cg_endo -61.28 77.51 0.08 OUTLIER 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.21 1.94 . . . . 0.0 111.463 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' B' ' 14' ' ' SER . 63.7 tp -83.49 137.63 33.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.381 -179.358 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.482 ' HA ' ' O ' ' B' ' 109' ' ' GLN . 6.1 mtpm? -82.23 104.27 12.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.897 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.549 ' HG ' HE22 ' B' ' 22' ' ' GLN . 10.6 mp -94.58 -169.24 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.903 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.2 m -154.76 149.93 27.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.036 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -70.58 104.29 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.905 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 152.25 23.34 0.05 OUTLIER Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.314 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.6 ' HB3' ' HB3' ' B' ' 1' ' ' GLN . 9.4 pt20 -143.18 165.62 26.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.717 0.259 . . . . 0.0 110.611 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.649 ' HB2' ' HB ' ' B' ' 4' ' ' VAL . 35.2 mt-10 -117.42 -173.31 2.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.379 0.609 . . . . 0.0 111.835 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.453 ' CA ' HG23 ' B' ' 4' ' ' VAL . 9.4 tp -163.01 114.34 1.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.049 179.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.456 HG13 ' HG2' ' B' ' 75' ' ' ARG . 58.8 t -127.07 92.15 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.982 0.42 . . . . 0.0 110.885 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.71 157.33 24.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.207 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 66.6 m -155.59 111.8 3.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -134.75 155.03 79.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.38 142.16 11.72 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.597 2.198 . . . . 0.0 112.435 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 73.4 p -146.31 -179.77 6.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.688 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -126.61 83.98 63.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.63 -16.79 56.79 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.628 2.218 . . . . 0.0 112.217 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 67.6 p -89.16 -17.94 28.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 90.1 m -83.37 -68.26 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.06 -36.6 0.56 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.538 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -78.03 102.55 7.48 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.06 0.457 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.423 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 14.9 mmm180 -103.2 -159.54 0.73 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.129 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.423 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 97.0 m95 -118.54 126.35 51.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.831 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -111.04 134.13 52.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' B' ' 43' ' ' PRO . 51.4 tp -79.56 130.25 35.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.736 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.635 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 0.0 OUTLIER -110.01 -50.85 2.93 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.274 -179.526 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.59 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 63.0 t30 -143.87 93.2 6.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.024 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.619 ' HB3' HD21 ' B' ' 40' ' ' LEU . 75.4 Cg_endo -76.83 13.07 1.53 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.554 2.17 . . . . 0.0 112.589 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.444 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 54.24 30.67 12.74 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.04 -9.52 2.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.461 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 57.6 m -62.44 -32.28 73.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.411 HG23 ' HG ' ' B' ' 48' ' ' LEU . 35.9 m -130.98 -36.45 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.635 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.569 HD22 HG22 ' B' ' 78' ' ' VAL . 14.2 mt -88.57 124.41 34.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.789 0.328 . . . . 0.0 110.856 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -85.84 144.17 27.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -90.89 143.25 26.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.635 HD12 ' HB3' ' B' ' 75' ' ' ARG . 71.8 mt -73.9 -63.91 1.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.791 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -153.38 -166.16 14.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.412 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.07 -177.25 0.76 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.642 2.228 . . . . 0.0 112.289 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -72.3 173.68 8.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.408 HG22 ' O ' ' B' ' 55' ' ' VAL . 9.9 p -96.61 8.28 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -116.57 104.92 11.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.787 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 56.2 m -143.59 -176.58 5.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -79.81 -10.31 59.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.011 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 80.3 p -133.33 134.84 44.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -123.55 105.11 9.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -63.14 -68.28 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.712 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -101.13 117.33 34.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.655 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 54.2 m -64.26 -81.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.067 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.36 -63.99 3.85 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.301 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 94.3 mt 56.26 106.38 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.052 0.453 . . . . 0.0 111.477 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.65 -26.81 4.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.068 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -140.38 -119.22 1.59 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 91.3 p -86.86 -32.6 20.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.685 0.279 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 141.23 149.91 5.31 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.96 -99.85 0.8 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.586 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 60.62 179.36 0.1 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.85 0.357 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 78.8 p -108.11 134.5 50.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.963 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 63.0 m -145.46 103.83 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.869 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -105.85 114.2 28.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.788 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.635 ' HB3' HD12 ' B' ' 51' ' ' LEU . 72.6 mtm180 -97.81 141.14 31.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.083 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -146.29 166.94 24.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.507 ' HB2' HD21 ' B' ' 51' ' ' LEU . 4.1 tmt_? -151.78 136.39 17.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.392 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.569 HG22 HD22 ' B' ' 48' ' ' LEU . 26.6 t -86.42 121.46 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.085 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.484 ' HB2' HH11 ' B' ' 77' ' ' ARG . . . -132.7 -19.18 2.37 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.529 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -129.64 152.06 49.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.931 0.396 . . . . 0.0 111.262 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.617 ' HB2' ' HB2' ' B' ' 111' ' ' ARG . 11.8 p -88.45 -179.55 6.1 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 115.76 179.48 18.27 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.513 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -100.74 154.36 18.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.938 0.399 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -168.59 -176.08 2.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.649 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -163.2 111.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.525 ' HG ' HD12 ' B' ' 108' ' ' ILE . 17.5 mt -64.56 143.41 57.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.754 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.59 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 18.8 mt-10 -139.42 109.25 6.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.272 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.406 ' N ' HD12 ' B' ' 88' ' ' LEU . 6.4 mp -118.72 118.5 31.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.3 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.446 HG22 ' N ' ' B' ' 90' ' ' TYR . 7.8 p -99.83 160.8 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.112 0.482 . . . . 0.0 111.315 -179.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 90' ' ' TYR . . . . . 0.446 ' N ' HG22 ' B' ' 89' ' ' VAL . 61.8 t80 -115.09 97.96 6.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.941 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.543 HH21 ' HG3' ' B' ' 100' ' ' PRO . 16.4 ptp180 -151.04 179.54 8.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.823 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.461 ' HA ' ' HD3' ' B' ' 93' ' ' PRO . 99.1 mtt180 -83.72 137.9 41.02 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.577 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 93' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 19.4 Cg_exo -66.62 -43.18 7.95 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.79 2.327 . . . . 0.0 113.329 -179.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 94' ' ' TRP . . . . . 0.455 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 4.2 p90 -68.59 -17.13 64.07 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.429 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 35.9 mt-10 -78.46 -21.61 48.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.491 0.186 . . . . 0.0 111.236 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt 62.82 -79.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.283 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -124.09 101.56 7.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.825 0.345 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.77 -178.95 6.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.986 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -78.3 113.32 32.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.059 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' PRO . . . . . 0.543 ' HG3' HH21 ' B' ' 91' ' ' ARG . 84.9 Cg_endo -79.97 165.8 21.58 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.59 2.193 . . . . 0.0 112.605 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.19 -53.53 4.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.007 0.432 . . . . 0.0 110.946 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -104.0 -163.01 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.616 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.1 p -175.04 155.64 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.831 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -152.1 140.36 20.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 80.2 p -159.21 121.35 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.561 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.66 140.0 53.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.029 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.404 ' HB3' ' C ' ' B' ' 14' ' ' SER . . . -82.56 141.0 32.95 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 108' ' ' ILE . . . . . 0.525 HD12 ' HG ' ' B' ' 86' ' ' LEU . 90.6 mt -147.97 131.75 8.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 109' ' ' GLN . . . . . 0.482 ' O ' ' HA ' ' B' ' 17' ' ' LYS . 52.3 tt0 -149.64 108.46 3.86 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.799 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.606 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 55.2 t -59.96 -91.4 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.112 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.617 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 39.7 mmt180 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.911 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.768 0.318 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -169.4 142.01 7.05 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.549 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 80.1 p -88.2 -44.21 11.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.655 0.264 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 45.7 t 61.7 -83.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.215 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -73.58 141.31 46.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -108.63 111.08 22.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -101.03 0.76 38.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -87.16 113.36 22.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.775 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -91.95 135.55 33.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.022 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -146.55 130.95 17.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.752 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 47.7 t -84.23 121.26 27.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 46.9 t -142.41 118.71 10.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -114.97 -147.72 9.34 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.562 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -7' ' ' LEU . . . . . 0.48 ' N ' HD12 ' B' ' -7' ' ' LEU . 6.8 mp -81.58 154.27 26.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.783 0.325 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' -6' ' ' VAL . . . . . 0.474 ' HA ' ' HD3' ' B' ' -5' ' ' PRO . 35.7 m -131.45 138.27 32.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.161 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' -5' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' B' ' -6' ' ' VAL . 7.3 Cg_exo -73.01 -169.09 0.46 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.659 2.239 . . . . 0.0 112.042 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -85.3 -42.4 14.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 57.32 -162.1 8.26 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.592 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 53.2 m -148.93 109.27 4.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.714 0.293 . . . . 0.0 110.788 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -113.38 111.06 21.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.974 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 65.5 mtt -132.13 -64.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.753 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLN . . . . . 0.464 ' HG3' ' H ' ' B' ' 2' ' ' LYS . 27.2 tp60 -120.37 -140.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.336 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.558 ' N ' ' HD2' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -113.59 138.09 22.45 Favored Pre-proline 0 CA--C 1.516 -0.344 0 CA-C-O 120.964 0.411 . . . . 0.0 111.787 -179.538 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 64.8 Cg_exo -55.17 -19.61 21.55 Favored 'Trans proline' 0 CA--C 1.509 -0.746 0 C-N-CA 122.622 2.215 . . . . 0.0 110.005 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.57 HG22 ' HB2' ' B' ' 23' ' ' GLU . 4.4 t -156.64 72.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 113.895 -1.502 . . . . 0.0 109.966 178.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.52 HG22 ' HB2' ' B' ' 2' ' ' LYS . 58.9 t -49.64 153.31 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.135 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.44 HG22 ' N ' ' B' ' 7' ' ' LEU . 3.5 m -124.28 163.83 20.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.898 0.38 . . . . 0.0 111.236 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.459 HD23 ' N ' ' B' ' 8' ' ' ASP . 0.5 OUTLIER -133.81 128.63 35.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.522 179.843 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.459 ' N ' HD23 ' B' ' 7' ' ' LEU . 19.2 t70 -139.4 -8.64 1.29 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -129.39 114.17 15.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.559 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.12 -0.57 7.98 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.829 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -106.81 -6.43 17.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.797 0.332 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -80.01 12.18 2.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.592 ' HB3' ' HA ' ' B' ' 106' ' ' CYS . 38.3 m -59.6 143.81 49.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.444 ' HA ' ' HD3' ' B' ' 15' ' ' PRO . 32.2 t -177.77 138.14 0.39 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.698 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 14' ' ' SER . 24.3 Cg_exo -63.66 80.78 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.282 1.988 . . . . 0.0 111.583 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 44.3 tp -89.97 161.13 16.03 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.638 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -112.58 131.52 55.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.702 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.634 ' H ' ' HA ' ' B' ' 110' ' ' VAL . 11.0 mp -114.68 -167.61 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.764 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.9 m -154.56 144.73 21.94 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.682 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -56.65 100.41 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.809 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 150.76 -8.68 0.72 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.544 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.45 ' HB3' ' O ' ' B' ' 2' ' ' LYS . 18.7 mt-30 -104.02 -179.38 3.93 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.57 ' HB2' HG22 ' B' ' 4' ' ' VAL . 32.5 mt-10 -146.98 -171.67 3.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.483 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.518 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 3.2 tt -167.41 134.22 2.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.488 178.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.561 HG22 ' HG2' ' B' ' 75' ' ' ARG . 90.9 t -129.41 115.21 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.609 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.444 HD11 HD13 ' B' ' 86' ' ' LEU . 96.0 mt -78.96 138.28 37.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.974 0.416 . . . . 0.0 111.284 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 54.8 m -132.61 120.03 21.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' B' ' 72' ' ' SER . 6.4 mp -111.34 154.02 43.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.285 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -80.4 12.89 2.39 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 123.03 2.487 . . . . 0.0 111.392 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.42 ' CB ' ' HE1' ' B' ' 38' ' ' TRP . 84.4 p -57.97 173.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.215 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -147.83 141.83 16.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.605 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -52.17 -59.16 1.19 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.506 2.137 . . . . 0.0 112.913 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 43.2 m -82.65 84.83 7.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.485 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 27.0 p -150.31 -68.72 0.19 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.965 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.98 -36.74 1.65 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.836 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.601 ' HA ' ' HG2' ' B' ' 92' ' ' ARG . 17.8 m-85 -88.31 101.17 13.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.089 0.471 . . . . 0.0 110.92 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -77.67 -147.12 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.507 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.42 ' HE1' ' CB ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -136.65 120.11 17.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.763 179.857 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -111.93 118.56 35.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.758 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.503 HD23 ' N ' ' B' ' 41' ' ' ARG . 2.0 tt -91.13 128.8 37.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.905 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.503 ' N ' HD23 ' B' ' 40' ' ' LEU . 22.4 mmm180 -96.75 -67.03 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.938 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.613 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 62.7 t30 -118.14 95.57 48.53 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.059 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.424 ' HA ' ' CD2' ' B' ' 86' ' ' LEU . 86.5 Cg_endo -77.56 5.66 5.02 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.531 2.154 . . . . 0.0 112.906 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.439 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 54.67 27.99 9.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.821 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.3 -17.22 18.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.463 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.3 t -62.54 -21.58 65.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.076 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 30.6 m -131.8 -13.07 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.502 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' B' ' 44' ' ' ALA . 80.1 mt -109.27 159.92 16.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.842 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.62 ' HE2' ' HA ' ' B' ' 49' ' ' LYS . 0.1 OUTLIER -137.24 -142.45 0.17 Allowed 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.486 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.528 ' HB3' ' HA ' ' B' ' 76' ' ' PHE . 46.7 ttt180 47.14 29.83 1.24 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.315 0.578 . . . . 0.0 110.805 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mt -84.55 -171.59 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.716 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 177.55 175.27 44.64 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.678 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -81.68 -44.48 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.951 2.434 . . . . 0.0 112.448 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -124.96 -175.02 3.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 29.3 m -122.18 11.66 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.195 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -141.33 8.56 2.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.779 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -75.26 -9.12 58.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -69.15 167.39 16.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.984 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 52.5 m -88.33 -57.36 2.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -120.46 124.01 44.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.824 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -143.73 122.21 12.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -62.29 149.34 42.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.627 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 51.6 m -63.85 -86.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.91 25.42 30.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.542 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 77.7 mt -96.46 172.32 8.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.795 0.331 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.32 -26.88 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -115.61 -156.52 11.04 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.624 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 92.2 p -75.34 -28.97 59.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.756 0.313 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 150.0 120.56 1.01 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 158.17 -139.27 6.22 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.509 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 59.67 -179.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.891 0.377 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' SER . . . . . 0.54 ' HB3' HD13 ' B' ' 28' ' ' LEU . 46.9 t -96.46 154.04 17.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.828 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 39.7 m -155.3 83.98 1.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.238 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -86.05 110.68 19.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.267 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.561 ' HG2' HG22 ' B' ' 25' ' ' VAL . 91.3 mtt180 -108.03 137.77 45.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 111.702 -179.244 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.528 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -151.53 161.56 42.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.51 179.278 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.519 ' HD2' ' N ' ' B' ' 78' ' ' VAL . 3.2 tmm_? -134.4 135.63 42.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.53 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.519 ' N ' ' HD2' ' B' ' 77' ' ' ARG . 56.1 t -59.33 108.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.969 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.551 ' HB2' ' HB2' ' B' ' 49' ' ' LYS . . . -92.31 -47.89 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.404 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.47 171.82 14.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.715 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 52.4 p -69.01 -165.03 0.06 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.718 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.71 159.11 12.38 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.682 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -110.79 112.15 23.81 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.897 0.379 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.05 -168.11 1.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.955 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -161.98 115.61 1.84 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.762 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.466 HD22 HD11 ' B' ' 88' ' ' LEU . 5.7 mt -63.08 135.51 57.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.685 0.279 . . . . 0.0 110.718 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.613 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 23.6 mt-10 -136.45 111.65 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.002 -179.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.598 ' HB2' ' HB2' ' B' ' 104' ' ' PHE . 4.9 mp -134.34 168.49 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.45 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 13.2 m -148.88 134.17 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.982 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -87.4 85.16 7.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.407 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.749 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 16.4 ptm180 -139.62 -173.2 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.32 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.601 ' HG2' ' HA ' ' B' ' 36' ' ' PHE . 78.7 mtt180 -91.56 151.08 42.17 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.563 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 93' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 5.3 Cg_exo -74.21 -22.79 16.31 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.908 2.405 . . . . 0.0 113.502 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 94' ' ' TRP . . . . . 0.53 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 27.5 p90 -98.53 30.26 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.603 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -127.95 115.47 18.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -69.35 -62.07 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.123 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -137.0 96.42 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.26 130.54 15.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.452 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 37.8 mt-10 -53.28 121.81 27.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 100' ' ' PRO . . . . . 0.749 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 55.7 Cg_endo -94.16 -178.01 0.61 Allowed 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.325 2.683 . . . . 0.0 112.877 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.82 -69.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.687 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -99.69 -169.87 1.81 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.149 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 39.4 m -167.97 157.44 9.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.083 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.598 ' HB2' ' HB2' ' B' ' 88' ' ' LEU . 17.1 m-85 -139.0 139.99 38.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.067 0.46 . . . . 0.0 111.517 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 105' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' B' ' 86' ' ' LEU . 78.7 p -174.39 82.82 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.485 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 106' ' ' CYS . . . . . 0.592 ' HA ' ' HB3' ' B' ' 13' ' ' CYS . 96.6 m -114.84 145.73 41.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.089 0.471 . . . . 0.0 111.466 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.01 143.98 39.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.215 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 68.7 mt -147.44 118.83 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.649 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' GLN . . . . . 0.429 ' NE2' ' HB3' ' B' ' 15' ' ' PRO . 76.8 mt-30 -129.62 163.92 25.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.901 0.381 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.715 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 25.6 t -133.59 157.43 42.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.742 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.447 ' N ' HG12 ' B' ' 110' ' ' VAL . 21.0 tpt180 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.054 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 86.6 mtp . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -89.61 110.65 3.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.422 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 47.8 t -95.26 125.53 39.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.318 . . . . 0.0 110.964 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 80.0 p -134.13 -3.09 2.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -69.43 152.63 44.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.804 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -56.56 124.4 18.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.808 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -64.95 127.87 33.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.977 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -153.59 -174.96 5.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -83.68 145.01 29.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -72.15 -53.77 11.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 47.5 t -143.03 -55.86 0.41 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 51.6 m -132.36 153.78 50.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -161.77 -55.3 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.649 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 59.0 tp -92.75 -45.99 7.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.795 0.331 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -6' ' ' VAL . . . . . 0.486 HG12 ' H ' ' B' ' -4' ' ' ARG . 39.0 t -126.78 129.85 23.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.039 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.31 -33.3 97.58 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.458 2.105 . . . . 0.0 112.291 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -4' ' ' ARG . . . . . 0.486 ' H ' HG12 ' B' ' -6' ' ' VAL . 3.6 tmt_? 63.01 -82.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.817 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 175.32 162.13 26.07 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 79.5 p -142.99 -42.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.749 0.309 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -111.46 115.38 29.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 58.9 ttp -82.83 -41.94 18.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -115.99 -86.35 0.61 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.044 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 24.8 mmmt -141.44 138.71 17.79 Favored Pre-proline 0 CA--C 1.518 -0.274 0 CA-C-O 120.967 0.413 . . . . 0.0 111.746 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.445 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 59.0 Cg_exo -56.49 -20.24 32.58 Favored 'Trans proline' 0 CA--C 1.51 -0.679 0 C-N-CA 122.812 2.341 . . . . 0.0 109.944 178.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.578 HG22 ' HB2' ' B' ' 23' ' ' GLU . 42.3 t -155.06 72.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.059 -1.428 . . . . 0.0 110.122 178.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.407 ' CG2' ' HB2' ' B' ' 2' ' ' LYS . 66.9 t -55.61 105.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.663 0.268 . . . . 0.0 110.598 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 m -68.64 161.91 27.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.336 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 56.5 tp -145.76 159.02 43.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.699 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -163.15 -61.3 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -71.09 142.16 50.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.83 -17.67 24.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -73.66 -30.78 63.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.0 -1.24 47.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 84.3 m -81.8 120.45 25.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.015 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.507 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 19.5 m -155.54 161.08 30.21 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.426 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 28.5 Cg_endo -63.18 78.06 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.278 1.986 . . . . 0.0 111.645 179.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.465 HD12 ' H ' ' B' ' 17' ' ' LYS . 47.1 tp -97.46 142.06 29.77 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.43 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.465 ' H ' HD12 ' B' ' 16' ' ' LEU . 14.1 mptt -74.24 141.0 45.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.13 0.49 . . . . 0.0 110.925 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.519 ' H ' ' HA ' ' B' ' 110' ' ' VAL . 3.9 mp -126.97 -163.72 1.28 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.789 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.2 t -161.09 141.87 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.469 ' H ' ' NE2' ' B' ' 20' ' ' GLN . 1.3 mp0 -58.25 119.06 6.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.507 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.487 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 134.28 6.4 2.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.01 -179.259 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.449 ' NE2' ' HG ' ' B' ' 18' ' ' LEU . 9.7 mt-30 -124.37 160.33 28.37 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.578 ' HB2' HG22 ' B' ' 4' ' ' VAL . 44.4 mt-10 -135.92 -164.54 1.56 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.228 0.537 . . . . 0.0 112.134 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' B' ' 75' ' ' ARG . 5.2 tp -157.81 147.36 19.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.911 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 15.9 t -148.56 107.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.567 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -109.28 143.06 39.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.829 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 59.3 m -138.31 117.37 12.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.402 ' HB3' ' HD2' ' B' ' 29' ' ' PRO . 81.1 mt -120.67 157.6 53.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' B' ' 28' ' ' LEU . 74.3 Cg_endo -76.27 130.18 11.81 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.476 2.118 . . . . 0.0 112.225 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.406 ' HB3' ' HE1' ' B' ' 38' ' ' TRP . 82.4 p -165.87 124.75 1.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -77.21 119.61 78.19 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.723 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.28 164.34 36.07 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.563 2.175 . . . . 0.0 112.461 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' THR . . . . . 0.564 ' H ' HH12 ' B' ' 37' ' ' ARG . 69.2 p 49.81 26.01 1.76 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.502 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 90.3 m -97.77 -64.06 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.04 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.46 -47.11 0.32 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.618 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -92.66 104.54 16.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.954 0.406 . . . . 0.0 111.241 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.564 HH12 ' H ' ' B' ' 33' ' ' THR . 0.3 OUTLIER -103.61 -155.22 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.323 179.514 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.406 ' HE1' ' HB3' ' B' ' 30' ' ' SER . 93.3 m95 -128.89 115.68 18.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.67 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -97.0 147.91 23.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.529 HD23 ' HG ' ' B' ' 88' ' ' LEU . 85.1 mt -100.72 100.99 11.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.18 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -75.56 -13.44 60.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.974 0.416 . . . . 0.0 110.099 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.442 ' HB2' ' HB2' ' B' ' 87' ' ' GLU . 6.1 t30 -167.7 89.89 0.7 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.626 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.44 6.43 3.15 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.372 2.048 . . . . 0.0 112.523 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.3 26.27 10.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.65 -6.91 3.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.262 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 57.5 m -69.3 -34.6 74.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.054 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.469 HG23 ' HG ' ' B' ' 48' ' ' LEU . 31.4 m -127.63 -39.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.488 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.576 HD22 HG22 ' B' ' 78' ' ' VAL . 13.9 mt -88.63 125.71 34.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.746 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.466 ' NZ ' ' HB3' ' B' ' 49' ' ' LYS . 5.6 ttpm? -84.57 139.81 31.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -89.17 153.35 21.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.693 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.441 ' N ' HD12 ' B' ' 51' ' ' LEU . 7.8 mp -100.7 -73.19 0.65 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.98 179.72 30.06 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.726 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' PRO . . . . . 0.504 ' HG2' ' H ' ' B' ' 54' ' ' GLU . 73.5 Cg_endo -76.8 -72.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.633 2.222 . . . . 0.0 112.718 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.504 ' H ' ' HG2' ' B' ' 53' ' ' PRO . 23.4 mm-40 -132.33 -20.49 2.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.742 0.306 . . . . 0.0 111.032 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 60.6 t 62.7 106.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -154.76 -38.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m -153.45 6.46 0.35 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -67.98 -67.21 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.5 t -153.9 129.16 9.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -152.82 145.37 24.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -125.25 -58.83 1.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -132.2 117.73 18.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 52.7 m -145.31 -39.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.26 59.49 1.22 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 90.9 mt -73.33 147.31 44.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.806 0.336 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 23.3 t -84.4 -23.24 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.047 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.95 -86.78 0.15 Allowed Glycine 0 CA--C 1.517 0.177 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 91.4 p -141.33 -2.79 1.23 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 148.37 132.1 2.13 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.534 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 161.56 42.06 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.53 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -139.51 117.26 11.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 53.0 m -65.8 119.94 12.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 66.2 m -110.14 128.2 55.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -115.12 103.39 10.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.979 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' B' ' 24' ' ' LEU . 53.1 ttp180 -110.4 128.25 55.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -138.28 152.69 48.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.9 0.381 . . . . 0.0 111.406 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.487 ' NH2' ' HA2' ' B' ' 21' ' ' GLY . 7.4 tpt180 -130.44 144.24 51.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.326 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.576 HG22 HD22 ' B' ' 48' ' ' LEU . 40.1 t -87.89 115.24 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.891 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.63 -41.24 8.22 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.603 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -140.39 179.91 6.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.955 0.407 . . . . 0.0 111.336 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.743 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 74.7 m -86.44 -168.11 2.12 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.822 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 112.91 169.44 17.53 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.588 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -94.37 149.92 20.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.764 0.316 . . . . 0.0 110.73 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -167.38 170.79 11.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.708 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -155.69 108.49 2.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.411 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.413 ' HG ' HD11 ' B' ' 88' ' ' LEU . 11.4 tp -65.19 123.99 20.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.948 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.442 ' HB2' ' HB2' ' B' ' 42' ' ' ASN . 36.0 mt-10 -117.18 125.63 51.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.529 ' HG ' HD23 ' B' ' 40' ' ' LEU . 5.3 mp -133.35 149.47 51.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.685 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.437 HG21 ' HE ' ' B' ' 91' ' ' ARG . 27.8 m -140.8 158.95 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.967 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' TYR . . . . . 0.553 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 36.8 t80 -110.03 102.91 11.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.03 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.492 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 22.6 ptt180 -166.67 178.51 5.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.815 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -61.67 134.87 93.98 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.572 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -83.45 29.36 0.55 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.859 2.373 . . . . 0.0 114.849 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' TRP . . . . . 0.42 ' CZ3' ' HG2' ' B' ' 95' ' ' GLU . 31.4 p-90 -130.53 -12.98 3.86 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.22 0.533 . . . . 0.0 109.704 178.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.42 ' HG2' ' CZ3' ' B' ' 94' ' ' TRP . 29.1 mt-10 -71.5 144.71 49.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.983 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' B' ' 96' ' ' LYS . 0.0 OUTLIER -91.51 -35.42 14.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.668 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -170.1 102.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.857 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.91 146.34 25.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 39.3 mt-10 -57.08 111.94 3.99 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.008 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 100' ' ' PRO . . . . . 0.492 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 1.9 Cg_endo -82.49 163.77 16.74 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.104 2.536 . . . . 0.0 112.195 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.82 -69.37 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.662 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.553 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 3.0 mm-40 -90.46 -164.37 1.16 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.946 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.1 p -175.96 166.63 3.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.059 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.485 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 44.2 t80 -162.72 149.66 13.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.766 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 79.3 p -167.8 141.58 3.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 93.2 m -149.45 134.19 17.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.5 147.34 27.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.231 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 80.0 mt -145.67 136.4 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -131.03 146.81 52.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.651 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.743 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 4.4 t -139.79 149.99 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.892 0.377 . . . . 0.0 111.117 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.845 179.824 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.773 0.321 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -170.06 -33.01 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.671 -0.775 . . . . 0.0 112.472 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 47.2 t -95.76 -14.35 23.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.778 0.323 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 80.7 p -79.65 -10.45 59.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -83.95 -34.33 24.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -94.54 112.27 24.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -99.31 169.0 9.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -90.98 120.02 31.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -98.19 121.89 40.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -133.15 148.19 52.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 52.4 m -131.26 163.72 27.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.9 t -137.98 -32.19 0.75 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -91.62 95.11 2.01 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.426 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 82.5 mt -130.11 -55.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 21.0 m -91.05 147.52 35.91 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.14 165.98 20.27 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.584 2.189 . . . . 0.0 112.241 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -93.89 110.64 22.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 179.817 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 162.69 -111.42 0.47 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.411 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 80.8 p -108.94 174.81 5.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.888 0.375 . . . . 0.0 110.927 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -153.16 -173.96 4.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.756 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 0' ' ' MET . . . . . 0.535 ' HG3' ' HG2' ' B' ' 1' ' ' GLN . 23.8 ptm -128.99 -34.91 1.88 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.136 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 1' ' ' GLN . . . . . 0.535 ' HG2' ' HG3' ' B' ' 0' ' ' MET . 17.9 mm-40 -99.85 140.27 34.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.65 ' HB2' HG13 ' B' ' 5' ' ' VAL . 14.9 mmmt -101.34 147.02 33.2 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.493 ' HD2' ' OE1' ' B' ' 22' ' ' GLN . 61.6 Cg_endo -68.86 -5.14 14.85 Favored 'Trans proline' 0 CA--C 1.516 -0.414 0 C-N-CA 123.758 2.972 . . . . 0.0 112.616 -179.535 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.585 ' HB ' ' HA ' ' B' ' 24' ' ' LEU . 0.0 OUTLIER -114.28 -82.55 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.572 -178.854 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.65 HG13 ' HB2' ' B' ' 2' ' ' LYS . 5.2 m 44.81 -166.82 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.955 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' B' ' 25' ' ' VAL . 1.7 m -74.34 159.24 32.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.493 -179.769 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -160.17 -166.01 1.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.542 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -158.38 -38.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.247 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -73.11 123.73 24.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.907 -179.733 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.531 ' C ' ' H ' ' B' ' 12' ' ' ASP . . . -83.52 171.82 13.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.19 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 t70 64.07 -16.48 0.07 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.174 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' B' ' 10' ' ' ALA . 23.2 t70 -81.2 4.34 20.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.077 0.465 . . . . 0.0 110.215 179.645 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 74.5 m -79.71 -80.35 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.246 -179.652 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.587 ' O ' ' N ' ' B' ' 16' ' ' LEU . 12.5 p 65.7 162.33 0.13 Allowed Pre-proline 0 CA--C 1.522 -0.102 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.39 75.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.462 2.108 . . . . 0.0 112.466 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' B' ' 14' ' ' SER . 6.7 mt -54.72 170.56 0.16 Allowed 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.395 0.617 . . . . 0.0 111.891 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' B' ' 17' ' ' LYS . 11.5 mptt -115.64 87.7 2.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.41 179.803 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.55 HD21 HG11 ' B' ' 4' ' ' VAL . 9.8 mp -98.53 -174.6 2.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.382 -179.696 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.407 HG22 ' N ' ' B' ' 20' ' ' GLN . 13.1 m -163.05 157.31 20.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.953 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.515 ' HG2' ' HA ' ' B' ' 80' ' ' ALA . 19.5 mt-30 -51.15 99.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.766 179.758 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.43 20.55 1.75 Allowed Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.939 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.493 ' OE1' ' HD2' ' B' ' 3' ' ' PRO . 37.0 mm-40 -104.77 167.23 9.86 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.671 0.272 . . . . 0.0 110.273 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -141.77 117.5 10.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 -179.172 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.585 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 52.3 tp -96.89 114.21 25.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.871 178.59 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.568 HG13 ' HG2' ' B' ' 75' ' ' ARG . 20.7 t -118.24 158.31 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.023 -179.412 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.434 ' N ' HG12 ' B' ' 25' ' ' VAL . 67.5 tp -166.62 147.18 6.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.838 0.352 . . . . 0.0 111.028 179.777 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 73.7 m -138.84 132.09 29.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 89.2 mt -136.65 127.97 16.73 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.458 ' HA ' ' HG2' ' B' ' 71' ' ' GLU . 24.5 Cg_exo -63.56 146.31 92.61 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.507 2.138 . . . . 0.0 112.272 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 80.6 p -149.01 122.08 8.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.74 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -60.96 112.88 6.41 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.08 137.9 82.21 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.461 2.107 . . . . 0.0 112.268 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 33' ' ' THR . . . . . 0.604 ' H ' HH12 ' B' ' 37' ' ' ARG . 33.3 m 54.46 80.0 0.13 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.152 -179.831 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 67.3 m -141.3 -59.51 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.06 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.54 -51.04 0.5 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.024 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -94.24 110.39 22.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.301 0.572 . . . . 0.0 111.049 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.604 HH12 ' H ' ' B' ' 33' ' ' THR . 14.3 mmt180 -104.54 -154.11 0.5 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.155 179.35 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -117.92 111.7 19.35 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.822 179.298 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -102.32 133.78 46.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.159 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 tt -81.76 120.68 25.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.111 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.532 ' NE ' ' HA ' ' B' ' 41' ' ' ARG . 5.7 tpm_? -88.2 -66.85 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.043 -179.538 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.596 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 56.1 t30 -123.34 101.44 37.74 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.62 179.704 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.65 6.29 3.76 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.535 2.157 . . . . 0.0 112.993 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.37 26.61 3.19 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.754 0.312 . . . . 0.0 110.827 -179.637 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.31 -13.54 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.466 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 45.9 t -60.8 -27.55 68.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.451 HG23 ' HG ' ' B' ' 48' ' ' LEU . 20.4 m -130.65 -43.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.726 -179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.511 HD22 HG22 ' B' ' 78' ' ' VAL . 21.1 mt -80.15 161.43 25.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.78 0.324 . . . . 0.0 110.742 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.56 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . 77.8 tttt -118.38 142.77 47.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.804 -179.731 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -98.26 139.34 34.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.138 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.428 HD11 ' HB3' ' B' ' 77' ' ' ARG . 8.6 mp -110.16 -5.73 15.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.799 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.45 172.73 28.33 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.642 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -84.6 -172.41 1.23 Allowed 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.889 2.393 . . . . 0.0 112.677 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -164.84 -41.3 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.724 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 40.0 t -99.43 130.39 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.013 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 84.8 t80 58.74 95.51 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.2 p -167.59 4.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 63.4 t30 60.54 13.31 4.1 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 51.9 m -104.15 -21.9 13.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -80.3 143.16 33.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.92 -66.42 0.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.677 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -150.99 128.06 11.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 56.3 m -147.86 -171.29 3.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.28 50.61 4.44 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.475 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 84.6 mt -83.54 168.81 16.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.718 0.294 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 39.3 t -92.18 110.66 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.8 -79.47 1.78 Allowed Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.418 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 90.4 p -155.34 -3.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.915 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.83 151.58 5.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.436 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 158.35 -174.75 35.55 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.471 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.458 ' HG2' ' HA ' ' B' ' 29' ' ' PRO . 45.3 mt-10 59.34 -177.22 0.09 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.837 0.351 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 78.6 p -141.36 157.66 44.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 52.9 m -142.85 143.05 31.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.184 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.422 ' O ' ' HA ' ' B' ' 25' ' ' VAL . 22.5 m-90 -126.83 131.6 51.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.82 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.568 ' HG2' HG13 ' B' ' 25' ' ' VAL . 71.6 mtm180 -144.66 117.12 8.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.748 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -131.21 135.53 47.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.835 0.35 . . . . 0.0 111.334 -179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.428 ' HB3' HD11 ' B' ' 51' ' ' LEU . 6.7 tpp180 -101.15 128.45 47.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.188 179.554 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.511 HG22 HD22 ' B' ' 48' ' ' LEU . 16.3 t -67.17 134.52 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.382 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.56 ' HB2' ' HB2' ' B' ' 49' ' ' LYS . . . -108.69 -37.04 6.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.302 -179.632 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.515 ' HA ' ' HG2' ' B' ' 20' ' ' GLN . . . -151.55 179.71 8.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.912 0.386 . . . . 0.0 111.335 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.752 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 5.3 p -84.22 -171.24 3.5 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.989 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 121.55 160.11 10.91 Favored Glycine 0 C--N 1.323 -0.186 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.327 -179.689 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.83 130.05 44.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.94 0.4 . . . . 0.0 111.252 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -154.33 -171.53 3.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.459 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -162.84 109.93 1.23 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.045 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 13.0 tp -63.32 124.11 20.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.462 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.596 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 16.5 mt-10 -117.96 129.19 55.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.087 0.47 . . . . 0.0 111.386 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.3 mp -137.41 145.65 43.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.146 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 5.7 m -139.88 149.15 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.023 0.439 . . . . 0.0 111.475 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 90' ' ' TYR . . . . . 0.538 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 60.5 t80 -94.49 94.01 7.97 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.8 -179.619 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.645 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 17.6 ptp180 -146.53 -173.75 4.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.504 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 99.1 mtt180 -84.42 122.48 75.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.372 179.713 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.54 -46.81 27.4 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.805 2.337 . . . . 0.0 113.316 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 94' ' ' TRP . . . . . 0.504 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 7.2 p90 -59.33 -18.82 41.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.642 -179.313 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -82.74 138.1 34.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.743 0.306 . . . . 0.0 110.884 179.647 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -77.62 -59.57 2.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -145.75 101.88 3.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.16 -179.31 5.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 179.802 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -89.0 110.12 35.66 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.992 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 100' ' ' PRO . . . . . 0.645 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 73.4 Cg_endo -75.76 162.22 35.48 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.595 2.197 . . . . 0.0 112.471 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.02 -48.2 10.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.192 0.52 . . . . 0.0 110.302 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.538 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 5.1 mm-40 -109.42 -162.1 0.79 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.884 179.421 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.4 p -176.61 159.46 1.87 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.208 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -154.18 143.02 21.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.654 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 56.1 m -157.89 140.32 14.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.162 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 67.6 m -149.78 127.14 11.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.048 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.66 142.83 33.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.558 179.681 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 108' ' ' ILE . . . . . 0.49 HD13 HD11 ' B' ' 48' ' ' LEU . 40.8 mt -135.54 112.52 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.967 0.413 . . . . 0.0 111.765 -179.596 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -110.19 107.55 17.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.642 179.223 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.752 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 10.8 t -98.88 154.81 3.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.985 0.421 . . . . 0.0 111.405 -179.691 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.624 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 27.9 tpt180 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.791 179.611 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.836 0.351 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -106.14 -174.76 23.53 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.549 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 80.1 p -86.56 178.44 7.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 52.4 m -138.09 165.6 26.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -149.12 -18.7 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.709 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -58.49 155.19 12.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -117.04 118.03 31.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -137.89 -178.39 5.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.79 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -131.38 122.63 26.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -90.57 122.08 33.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 47.8 t -167.01 -23.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 36.2 t -147.46 16.42 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -67.69 85.6 0.15 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.607 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 58.5 tp -169.14 -29.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.908 0.385 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' -6' ' ' VAL . . . . . 0.533 ' HB ' ' HD3' ' B' ' -5' ' ' PRO . 36.0 t -65.39 -47.98 68.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.586 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' -5' ' ' PRO . . . . . 0.533 ' HD3' ' HB ' ' B' ' -6' ' ' VAL . 42.9 Cg_exo -56.3 -24.49 51.57 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.175 1.917 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -93.83 121.26 35.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -149.85 161.26 28.81 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.388 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 52.4 m -150.72 179.91 7.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.742 0.305 . . . . 0.0 110.986 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 58.72 -174.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 66.6 mtm -68.64 162.72 25.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 1' ' ' GLN . . . . . 0.555 ' HG3' ' HG2' ' B' ' 2' ' ' LYS . 21.1 tp60 -116.62 -73.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.824 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.62 ' HG3' ' HB ' ' B' ' 5' ' ' VAL . 26.0 mmmt -136.44 136.79 22.71 Favored Pre-proline 0 CA--C 1.516 -0.351 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.509 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 42.5 Cg_exo -59.06 -36.46 96.34 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.125 1.884 . . . . 0.0 109.806 178.418 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.449 HG22 ' HB2' ' B' ' 23' ' ' GLU . 41.9 t -166.74 77.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 113.833 -1.531 . . . . 0.0 109.999 179.641 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.62 ' HB ' ' HG3' ' B' ' 2' ' ' LYS . 1.7 p -63.5 103.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.91 0.386 . . . . 0.0 110.525 179.753 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -75.78 162.64 28.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.435 -179.209 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 84.6 mt -140.19 160.11 40.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.051 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -148.88 6.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.636 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -164.92 146.69 7.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.826 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.415 ' HA ' ' SG ' ' B' ' 13' ' ' CYS . . . -71.59 -19.11 62.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.4 -179.695 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -63.78 -42.72 97.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.044 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -105.56 28.36 7.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.021 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.415 ' SG ' ' HA ' ' B' ' 10' ' ' ALA . 0.6 OUTLIER -46.58 -84.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.226 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' B' ' 107' ' ' ALA . 66.8 m -159.08 146.08 12.89 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.525 179.744 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -79.36 33.27 0.49 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.614 2.21 . . . . 0.0 113.238 -179.363 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' B' ' 109' ' ' GLN . 36.5 tp 60.45 -110.41 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.65 179.655 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.622 ' HA ' ' O ' ' B' ' 109' ' ' GLN . 80.3 mttt -30.97 103.03 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.634 179.252 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mp -126.92 -160.53 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.874 -179.648 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.473 ' HA ' HG13 ' B' ' 110' ' ' VAL . 23.4 m -157.35 147.47 20.77 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.113 0.482 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -59.16 158.16 9.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.431 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 106.97 6.46 34.45 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.961 179.751 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -127.95 152.47 47.85 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.894 0.378 . . . . 0.0 110.539 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.601 ' HG2' ' HD3' ' B' ' 77' ' ' ARG . 32.7 mt-10 -118.78 -171.23 2.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.442 -179.789 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.414 HD12 ' O ' ' B' ' 5' ' ' VAL . 7.9 tp -161.14 143.22 12.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.318 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.513 HG22 ' HG2' ' B' ' 75' ' ' ARG . 64.9 t -146.99 91.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.103 178.837 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.9 mt -63.85 158.21 22.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.313 -179.431 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 63.2 m -145.64 103.19 3.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.967 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 79.3 mt -130.02 142.64 46.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -80.93 121.0 3.92 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.566 2.177 . . . . 0.0 112.431 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 80.4 p -165.42 125.44 1.82 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 31' ' ' ASN . . . . . 0.486 ' HB2' HG23 ' B' ' 34' ' ' THR . 78.8 m-20 -93.72 137.09 23.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.777 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -78.72 16.0 1.36 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.694 2.263 . . . . 0.0 112.71 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 78.2 p -123.22 11.74 9.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.208 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.486 HG23 ' HB2' ' B' ' 31' ' ' ASN . 71.9 p -99.36 -59.86 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.242 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.89 -45.23 0.89 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.007 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -87.54 102.84 14.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.038 0.447 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.615 ' HB2' ' HG3' ' B' ' 93' ' ' PRO . 14.6 mmm180 -102.91 -156.59 0.57 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.793 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 38' ' ' TRP . . . . . 0.49 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 95.4 m95 -122.79 115.47 22.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.662 179.855 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -90.95 149.81 21.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.47 -179.411 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' B' ' 43' ' ' PRO . 68.6 tp -104.62 116.22 31.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.561 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -94.99 -60.55 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.385 -179.698 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.597 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 63.7 t30 -133.18 90.84 29.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.075 -179.716 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.598 ' HB3' HD21 ' B' ' 40' ' ' LEU . 58.1 Cg_endo -71.17 -0.48 8.1 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.618 2.212 . . . . 0.0 112.667 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.402 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 55.97 23.95 7.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.931 0.396 . . . . 0.0 110.449 -179.327 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.62 -15.81 5.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.415 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 55.0 m -59.41 -27.44 66.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.992 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.401 ' HA ' ' HB3' ' B' ' 80' ' ' ALA . 27.6 m -130.39 -11.25 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.468 -179.82 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.595 HD22 HG22 ' B' ' 78' ' ' VAL . 15.6 mt -113.35 112.34 23.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.868 0.366 . . . . 0.0 110.766 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -74.64 138.86 43.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.085 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -89.32 134.89 33.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.598 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.546 HD12 ' HB3' ' B' ' 75' ' ' ARG . 68.3 mt -62.17 -32.08 72.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 160.16 169.67 23.76 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.707 179.814 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -86.58 -177.15 2.24 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 123.005 2.47 . . . . 0.0 112.643 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 59.3 102.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 35.5 m -105.61 11.02 8.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -110.0 150.51 28.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 54.8 m -149.04 179.25 8.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -78.48 176.45 9.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.5 t -90.7 123.62 34.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -124.72 178.66 5.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.69 -35.45 39.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -151.1 112.17 4.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 53.1 m -149.68 -8.12 0.32 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.98 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.57 32.11 4.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.456 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.0 mt -73.84 121.07 20.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.765 0.317 . . . . 0.0 110.828 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 8.5 p -92.92 -24.66 5.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -111.1 -124.73 4.62 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.538 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 72.9 p -156.41 -0.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.351 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.49 -111.61 0.88 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.406 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.52 84.92 0.43 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.542 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -81.37 147.07 30.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 47.6 t -76.4 134.6 39.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.981 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 60.7 m -143.14 115.95 8.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.953 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -112.29 112.84 24.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.061 -179.876 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.546 ' HB3' HD12 ' B' ' 51' ' ' LEU . 72.4 mtm180 -105.2 133.55 49.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -144.93 155.02 43.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.909 0.385 . . . . 0.0 111.297 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.601 ' HD3' ' HG2' ' B' ' 23' ' ' GLU . 9.8 tpt180 -137.04 140.89 42.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.505 179.615 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.595 HG22 HD22 ' B' ' 48' ' ' LEU . 9.1 t -96.71 110.05 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.561 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.28 -3.87 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.76 -179.399 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.408 ' O ' HG21 ' B' ' 110' ' ' VAL . . . -130.38 150.87 51.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.107 0.479 . . . . 0.0 111.462 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.73 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 17.1 p -89.71 163.0 15.29 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.812 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 134.43 163.41 10.23 Favored Glycine 0 C--N 1.317 -0.489 0 CA-C-N 115.243 -0.89 . . . . 0.0 112.361 -179.785 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 83' ' ' ASP . . . . . 0.435 ' HA ' ' HG3' ' B' ' 109' ' ' GLN . 1.9 p-10 -95.16 120.78 35.97 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.864 0.364 . . . . 0.0 110.962 179.862 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -143.27 179.13 7.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -158.22 107.67 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.636 -179.701 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.483 ' CD1' ' HA ' ' B' ' 43' ' ' PRO . 59.8 tp -55.28 148.51 14.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.603 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.597 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 28.0 mt-10 -147.21 128.05 14.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.081 0.467 . . . . 0.0 111.946 -179.003 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.523 ' HB2' ' HB3' ' B' ' 104' ' ' PHE . 5.2 mp -144.69 154.61 42.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.334 178.772 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 22.6 m -141.16 168.25 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 179.805 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 90' ' ' TYR . . . . . 0.455 ' CB ' ' HB2' ' B' ' 102' ' ' GLU . 30.7 t80 -112.85 84.87 2.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.606 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.465 ' HE ' ' HG3' ' B' ' 100' ' ' PRO . 16.2 ptp180 -144.8 169.25 18.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.757 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.606 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 82.2 mtt180 -66.5 140.15 96.44 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.132 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 93' ' ' PRO . . . . . 0.615 ' HG3' ' HB2' ' B' ' 37' ' ' ARG . 3.9 Cg_exo -79.91 20.24 0.92 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.141 2.561 . . . . 0.0 114.954 -177.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 94' ' ' TRP . . . . . 0.457 ' CZ3' ' HG2' ' B' ' 95' ' ' GLU . 34.0 p-90 -127.07 -12.13 5.84 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.12 0.486 . . . . 0.0 109.944 179.253 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.606 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 36.7 mt-10 -73.72 -45.2 53.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.027 -179.832 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 49.8 mttm 69.01 -9.88 0.55 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.483 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 97' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' B' ' 95' ' ' GLU . 16.8 t70 -176.88 94.46 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -153.65 -174.46 4.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.189 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -92.67 109.47 38.99 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.78 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 100' ' ' PRO . . . . . 0.465 ' HG3' ' HE ' ' B' ' 91' ' ' ARG . 4.0 Cg_endo -84.53 174.19 7.98 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.8 2.333 . . . . 0.0 112.288 -179.799 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.412 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -98.61 -37.5 9.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.79 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.455 ' HB2' ' CB ' ' B' ' 90' ' ' TYR . 23.1 mt-10 -116.07 -170.39 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.656 179.666 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.9 p -170.29 161.71 8.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.785 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 104' ' ' PHE . . . . . 0.523 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 3.2 t80 -154.12 147.62 25.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.749 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 81.3 p -169.55 117.91 0.62 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.802 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 106' ' ' CYS . . . . . 0.417 ' HB2' ' HB3' ' B' ' 86' ' ' LEU . 55.9 m -114.6 143.52 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.572 -179.717 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.479 ' C ' ' HA ' ' B' ' 16' ' ' LEU . . . -93.02 129.97 38.76 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.542 179.51 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 50.9 mt -149.08 107.25 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.293 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 109' ' ' GLN . . . . . 0.622 ' O ' ' HA ' ' B' ' 17' ' ' LYS . 29.1 tt0 -125.19 96.72 4.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.351 178.154 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.73 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 44.6 t -60.02 -95.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.471 -179.031 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.552 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 39.1 mmt180 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 25.9 ptm . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.813 0.34 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 101.2 123.37 5.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.481 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 52.1 m -88.17 121.59 30.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 53.2 m -91.58 -20.16 21.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -83.93 175.43 9.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -89.32 139.27 30.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -137.21 -27.24 0.98 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -77.62 -4.49 46.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -87.87 125.31 34.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -70.41 134.24 47.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.2 p -135.22 -42.02 0.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.6 t -159.47 126.9 4.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -91.18 158.23 25.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' -7' ' ' LEU . . . . . 0.63 ' HB2' ' HD2' ' B' ' -5' ' ' PRO . 1.0 OUTLIER -141.48 152.78 44.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 0.0 111.1 -179.847 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' -6' ' ' VAL . . . . . 0.601 ' N ' ' CD ' ' B' ' -5' ' ' PRO . 28.1 m -103.98 -27.63 0.21 Allowed Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' -5' ' ' PRO . . . . . 0.63 ' HD2' ' HB2' ' B' ' -7' ' ' LEU . 52.8 Cg_exo -55.47 -60.13 0.61 Allowed 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 121.808 1.672 . . . . 0.0 112.444 -179.906 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -72.65 147.03 46.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.975 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 144.4 54.17 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.491 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 37.4 t -118.0 165.27 13.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 74.8 m80 59.46 14.96 4.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.044 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 69.4 mtm -137.68 -167.9 2.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 1' ' ' GLN . . . . . 0.544 ' HA ' ' HA ' ' B' ' 22' ' ' GLN . 11.2 pt20 -57.79 159.8 5.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.992 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.592 ' C ' ' H ' ' B' ' 4' ' ' VAL . 14.0 mtpp -122.94 163.79 31.12 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.034 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.472 ' HD2' ' HE3' ' B' ' 2' ' ' LYS . 73.2 Cg_endo -70.32 15.92 0.26 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.818 2.345 . . . . 0.0 110.614 178.869 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.821 HG21 HG23 ' B' ' 25' ' ' VAL . 7.1 p 44.06 94.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 114.3 -1.318 . . . . 0.0 112.043 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.3 p -79.02 107.6 11.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.815 -179.827 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.426 HG23 ' O ' ' B' ' 25' ' ' VAL . 1.7 m -72.6 162.48 29.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.501 -179.427 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 42.1 mt -122.65 -171.59 2.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.949 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -167.65 -28.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -119.61 161.59 20.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.757 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.83 -34.06 11.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.564 -179.723 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.71 -18.95 65.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.064 -179.818 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -84.79 -8.24 58.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.006 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 52.8 m -87.34 155.55 20.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.319 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 30.4 m -164.63 158.85 15.33 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.425 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.529 ' HB3' ' NE2' ' B' ' 109' ' ' GLN . 36.7 Cg_exo -60.09 79.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.374 2.049 . . . . 0.0 111.797 179.367 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.411 HD12 ' H ' ' B' ' 17' ' ' LYS . 60.4 tp -98.69 150.95 21.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.465 -179.306 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.411 ' H ' HD12 ' B' ' 16' ' ' LEU . 14.3 mptt -93.84 142.82 26.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.842 179.346 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.666 ' HB2' HG22 ' B' ' 110' ' ' VAL . 11.0 mp -118.33 -168.02 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.843 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 51.2 m -142.02 133.76 27.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -56.03 109.36 0.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.681 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.45 -33.13 1.7 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.679 -179.828 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.544 ' HA ' ' HA ' ' B' ' 1' ' ' GLN . 2.2 pt20 -86.47 -169.5 2.67 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.619 0.247 . . . . 0.0 110.479 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.544 ' HB3' ' HD3' ' B' ' 77' ' ' ARG . 10.5 pt-20 -156.52 -176.28 5.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.134 0.492 . . . . 0.0 111.589 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.741 ' HA ' HG23 ' B' ' 4' ' ' VAL . 35.1 tp -147.97 149.86 32.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.631 179.469 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.821 HG23 HG21 ' B' ' 4' ' ' VAL . 73.6 t -134.91 148.08 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.729 179.655 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 90.5 mt -128.21 137.73 52.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.071 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.6 m -139.7 122.28 16.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.3 mt -137.67 148.15 60.0 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.08 131.79 43.49 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.553 2.169 . . . . 0.0 112.429 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 81.6 p -168.56 114.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.794 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -98.95 142.93 25.45 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -78.01 1.62 8.74 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.639 2.226 . . . . 0.0 112.48 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 78.6 p -100.4 4.03 43.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.273 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 73.0 p -102.09 -64.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.209 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.29 -35.79 2.44 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.066 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -76.03 97.97 4.18 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.929 0.395 . . . . 0.0 111.078 179.757 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -92.0 -153.74 0.35 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.177 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -126.08 107.13 10.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.332 . . . . 0.0 111.062 179.797 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -83.56 124.76 31.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.694 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.08 123.23 21.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 -179.728 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -102.36 -40.59 6.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.666 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.586 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 8.4 t30 -154.5 92.34 2.96 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.777 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.82 9.17 2.78 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.547 2.165 . . . . 0.0 112.654 -179.72 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.23 25.22 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.99 -11.17 5.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 -179.881 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 53.4 m -64.58 -32.21 73.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.492 HG23 ' HG ' ' B' ' 48' ' ' LEU . 28.3 m -123.28 -45.84 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.497 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.501 HD22 HG22 ' B' ' 78' ' ' VAL . 14.0 mt -81.84 144.73 30.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 110.182 179.846 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.582 ' HZ3' ' HB3' ' B' ' 77' ' ' ARG . 5.6 ttpm? -86.64 127.74 34.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.844 -179.706 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -84.27 146.79 27.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.293 -179.7 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.426 ' N ' HD12 ' B' ' 51' ' ' LEU . 7.9 mp -107.21 -178.91 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.652 179.825 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.59 175.88 33.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.569 -179.846 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -81.47 118.7 3.26 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.845 2.363 . . . . 0.0 112.537 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -141.37 4.68 1.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.996 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.459 HG22 ' O ' ' B' ' 55' ' ' VAL . 8.8 p -89.37 5.22 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.153 0.502 . . . . 0.0 110.794 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -125.23 123.92 40.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -141.42 -76.2 0.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 179.845 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -169.85 -65.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 44.1 t -135.31 170.99 15.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.983 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -76.94 176.72 8.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.963 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -135.75 -26.0 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -133.22 -44.44 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 80.7 p -162.89 -56.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.16 26.08 68.88 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.588 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 92.2 mt -95.15 17.69 13.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.369 0.604 . . . . 0.0 110.751 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 46.3 t -139.05 -29.04 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.88 -158.4 28.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.457 -179.894 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 41.7 m 58.46 17.76 5.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.771 0.319 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 165.16 42.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.403 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 155.53 159.74 9.52 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.358 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 58.51 -175.83 0.08 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.834 0.349 . . . . 0.0 111.085 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 47.7 t -94.68 114.65 26.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.784 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 71.6 m -129.5 109.57 11.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.83 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -101.62 144.53 30.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -136.11 130.25 33.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.2 -179.818 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -137.63 120.21 16.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.609 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.582 ' HB3' ' HZ3' ' B' ' 49' ' ' LYS . 10.2 tpp180 -94.99 124.08 38.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.501 HG22 HD22 ' B' ' 48' ' ' LEU . 21.4 t -61.7 127.68 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.768 179.841 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -119.98 -36.69 3.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.804 -179.412 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -141.32 174.3 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.949 0.404 . . . . 0.0 111.496 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.677 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 8.6 p -84.35 -169.77 2.77 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.176 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.95 157.65 11.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.543 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -88.5 152.49 21.84 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.646 0.26 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.436 ' OD2' ' HB ' ' B' ' 108' ' ' ILE . 10.0 p-10 -167.43 -175.72 2.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -166.13 106.05 0.68 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.742 -179.827 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.517 ' HG ' HD12 ' B' ' 108' ' ' ILE . 13.2 mt -59.53 137.94 57.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.034 0.445 . . . . 0.0 111.043 -179.696 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.586 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 12.2 mt-10 -137.91 113.44 9.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.78 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.419 ' N ' HD12 ' B' ' 88' ' ' LEU . 5.2 mp -128.05 117.1 21.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.898 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.493 HG11 ' NH2' ' B' ' 91' ' ' ARG . 10.0 p -104.73 160.12 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.74 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 90' ' ' TYR . . . . . 0.547 ' HB2' ' HB2' ' B' ' 102' ' ' GLU . 0.3 OUTLIER -74.08 -88.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.248 179.867 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.493 ' NH2' HG11 ' B' ' 89' ' ' VAL . 7.3 mtm180 48.48 -165.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.956 0.408 . . . . 0.0 111.602 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.417 ' HB2' ' HG2' ' B' ' 95' ' ' GLU . 73.0 mtt180 -124.98 151.3 68.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.427 179.651 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.5 -15.45 49.7 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.722 2.281 . . . . 0.0 113.291 -179.403 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 94' ' ' TRP . . . . . . . . . . . . . 38.8 p90 -111.42 24.31 12.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.757 0.313 . . . . 0.0 111.597 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.417 ' HG2' ' HB2' ' B' ' 92' ' ' ARG . 11.7 mm-40 -123.14 106.53 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.078 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -84.75 102.56 13.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.687 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 56.42 82.75 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.041 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.83 172.13 13.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 41.2 mt-10 -57.94 109.64 1.94 Allowed Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 100' ' ' PRO . . . . . 0.45 ' HA ' ' HG3' ' B' ' 91' ' ' ARG . 5.1 Cg_exo -80.46 160.96 22.53 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.083 2.522 . . . . 0.0 112.552 -179.677 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.51 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -99.84 -69.28 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.701 179.598 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.547 ' HB2' ' HB2' ' B' ' 90' ' ' TYR . 19.7 mt-10 -97.26 -174.7 3.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.789 179.492 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 42.9 t -167.15 174.68 8.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -172.57 122.55 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.777 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 87.6 p -132.06 118.58 19.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.624 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 29.6 t -123.71 129.29 50.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.187 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -79.0 139.54 38.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.699 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 108' ' ' ILE . . . . . 0.517 HD12 ' HG ' ' B' ' 86' ' ' LEU . 65.6 mt -146.7 135.24 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.267 -179.367 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 109' ' ' GLN . . . . . 0.529 ' NE2' ' HB3' ' B' ' 15' ' ' PRO . 76.5 mt-30 -141.59 149.95 41.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.312 179.264 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.677 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 11.6 t -137.14 153.47 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.908 0.385 . . . . 0.0 111.263 -179.779 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.602 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 19.2 tpt180 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.786 179.466 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 58.9 ttp . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.786 0.327 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -173.6 -27.16 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 47.3 t -92.16 -24.19 19.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.736 0.303 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 80.4 p -144.04 140.85 29.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 44.4 t60 -145.61 115.54 7.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.756 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -125.01 170.85 10.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -72.16 135.67 46.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -65.05 -63.75 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.047 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -149.16 109.48 4.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.781 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -164.38 129.32 2.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 54.4 m 58.79 -172.68 0.1 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 81.2 p -144.28 -178.89 6.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -142.5 78.82 0.27 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.447 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 56.2 tp -159.64 142.53 13.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 17.3 m -123.93 140.69 35.15 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.12 -36.42 47.72 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.644 2.229 . . . . 0.0 112.244 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -125.89 140.65 52.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 140.4 -54.21 0.66 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.358 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 80.0 p -138.05 128.17 25.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.748 0.309 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -124.41 114.09 19.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.033 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 16.1 tpt -155.13 114.77 3.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.751 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -128.43 -171.05 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.59 ' C ' ' H ' ' B' ' 4' ' ' VAL . 3.6 mtpt -121.59 155.42 59.64 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.534 ' HD2' ' HE2' ' B' ' 2' ' ' LYS . 32.7 Cg_exo -64.36 7.32 0.24 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 123.246 2.63 . . . . 0.0 110.888 178.378 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.645 ' HB ' ' HG3' ' B' ' 23' ' ' GLU . 2.4 p 44.44 100.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 114.439 -1.255 . . . . 0.0 112.088 179.627 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 39.7 t -82.91 138.83 18.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.129 -179.783 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.41 HG22 ' N ' ' B' ' 7' ' ' LEU . 3.1 m -80.09 163.76 23.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.002 -179.895 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.486 HD12 HD21 ' B' ' 24' ' ' LEU . 11.7 mt -134.52 -176.59 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.166 0.508 . . . . 0.0 111.311 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -169.65 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.289 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -148.59 157.44 43.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.352 179.509 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.6 98.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.196 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -142.92 -63.83 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.005 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.22 -69.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 -179.745 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.48 ' HB2' ' HB3' ' B' ' 106' ' ' CYS . 0.8 OUTLIER -75.16 123.59 25.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.063 -179.93 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.688 ' H ' ' HD2' ' B' ' 15' ' ' PRO . 7.4 p 179.48 -41.23 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.855 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 15' ' ' PRO . . . . . 0.688 ' HD2' ' H ' ' B' ' 14' ' ' SER . 88.1 Cg_endo -82.03 17.24 1.58 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.047 1.831 . . . . 0.0 113.164 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.72 ' HG ' ' HB1' ' B' ' 107' ' ' ALA . 3.8 mp 60.44 -83.4 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.366 0.603 . . . . 0.0 111.275 179.642 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' B' ' 16' ' ' LEU . 52.8 mtpt -25.83 118.15 0.07 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.103 -1.408 . . . . 0.0 112.102 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 tp -149.07 -159.62 1.06 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.298 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -155.74 153.36 29.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.432 ' HG3' HG11 ' B' ' 110' ' ' VAL . 23.9 mt-30 -62.12 166.88 4.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.25 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.39 -22.69 5.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.423 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.471 ' O ' HG23 ' B' ' 78' ' ' VAL . 0.0 OUTLIER -71.24 112.19 7.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.87 0.367 . . . . 0.0 111.395 -179.8 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.645 ' HG3' ' HB ' ' B' ' 4' ' ' VAL . 0.2 OUTLIER -101.66 159.52 15.24 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.793 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.524 ' HA ' HG23 ' B' ' 4' ' ' VAL . 5.0 tt -153.75 138.96 17.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.156 0.503 . . . . 0.0 111.803 -179.23 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' B' ' 74' ' ' TRP . 61.5 t -117.0 119.66 62.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.383 179.307 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.653 ' HB2' ' HB2' ' B' ' 74' ' ' TRP . 65.1 mt -97.88 170.21 9.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.149 0.5 . . . . 0.0 111.699 -179.151 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.407 ' C ' ' HG ' ' B' ' 28' ' ' LEU . 86.2 m -135.54 94.45 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.219 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.823 ' H ' ' HD2' ' B' ' 29' ' ' PRO . 6.3 mt -146.33 -53.18 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.823 ' HD2' ' H ' ' B' ' 28' ' ' LEU . 27.4 Cg_exo -30.83 137.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 123.201 2.601 . . . . 0.0 113.505 -179.257 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.51 ' HA ' ' HA2' ' B' ' 70' ' ' GLY . 13.7 t -145.56 122.01 11.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.855 -179.541 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 31' ' ' ASN . . . . . 0.469 ' H ' ' HA2' ' B' ' 70' ' ' GLY . 0.6 OUTLIER -136.63 50.93 4.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.398 179.686 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 32' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' B' ' 31' ' ' ASN . 92.3 Cg_endo -81.7 105.95 1.6 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.557 2.171 . . . . 0.0 111.602 179.392 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 4.8 m 63.32 9.15 3.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.171 0.51 . . . . 0.0 110.035 -178.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.408 HG22 ' NH1' ' B' ' 37' ' ' ARG . 58.1 p 57.19 163.48 0.03 OUTLIER 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.023 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.87 -28.72 4.58 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.698 -179.475 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -140.78 118.86 11.93 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.846 0.355 . . . . 0.0 110.372 179.587 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.408 ' NH1' HG22 ' B' ' 34' ' ' THR . 2.1 mmm180 -125.29 -164.28 1.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.061 -179.573 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -121.38 153.96 37.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.36 179.204 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -127.47 138.45 52.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.868 0.366 . . . . 0.0 111.128 -179.894 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' B' ' 43' ' ' PRO . 91.4 mt -94.9 104.73 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.784 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.532 ' HB2' ' HB3' ' B' ' 87' ' ' GLU . 31.2 mmm180 -76.39 -18.41 58.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.58 179.788 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.463 ' O ' ' HA ' ' B' ' 86' ' ' LEU . 4.5 t30 -175.19 86.88 0.31 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.57 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.482 ' HB3' HD13 ' B' ' 40' ' ' LEU . 67.3 Cg_endo -73.41 4.49 3.87 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.578 2.186 . . . . 0.0 112.711 -179.726 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.89 22.46 5.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.923 -179.715 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.77 -11.18 2.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 -179.787 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -62.23 -31.5 72.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.041 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.406 HG11 ' HA3' ' B' ' 82' ' ' GLY . 35.8 m -127.69 -9.17 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.682 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.682 HD22 HG22 ' B' ' 78' ' ' VAL . 13.8 mt -112.63 148.63 34.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -103.33 143.27 32.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 -179.788 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.519 HH21 ' HA ' ' B' ' 53' ' ' PRO . 14.8 ptm180 -92.76 150.86 20.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.639 179.708 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' B' ' 77' ' ' ARG . 3.8 mm? -93.52 -1.92 54.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.237 -179.545 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 141.55 159.12 7.8 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.834 179.679 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 53' ' ' PRO . . . . . 0.519 ' HA ' HH21 ' B' ' 50' ' ' ARG . 37.4 Cg_exo -61.55 -67.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.778 2.319 . . . . 0.0 112.439 179.841 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.11 166.73 16.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 18.9 m -142.34 16.78 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.282 -179.905 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -58.82 131.13 50.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.418 ' HB3' ' HG3' ' B' ' 60' ' ' GLU . 55.3 m -65.84 172.45 3.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.015 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -122.65 -53.07 1.89 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 79.5 p -141.83 -39.94 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.418 ' HG3' ' HB3' ' B' ' 57' ' ' SER . 46.3 mt-10 58.44 -172.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.183 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -129.15 -46.97 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.971 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -160.13 4.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.781 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 56.1 m -66.31 -56.98 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.01 54.73 32.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.239 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.9 mt -92.44 20.12 6.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.21 0.529 . . . . 0.0 110.747 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 83.9 t -135.31 109.68 11.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -106.97 -146.76 13.42 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.451 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 91.2 p -83.99 -25.71 29.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.777 0.322 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.07 128.63 2.2 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.612 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.51 ' HA2' ' HA ' ' B' ' 30' ' ' SER . . . 79.28 106.71 0.23 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -83.45 -41.63 17.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.393 . . . . 0.0 111.128 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.3 m 53.66 84.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.342 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.607 ' H ' ' HG2' ' B' ' 29' ' ' PRO . 82.2 m -159.85 131.75 6.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.464 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.653 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 9.7 m95 -137.68 141.03 41.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.438 179.225 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -122.71 112.32 17.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.849 0.357 . . . . 0.0 111.223 -179.795 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -132.75 114.98 14.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.452 ' HB2' HD21 ' B' ' 51' ' ' LEU . 2.9 tmm_? -116.88 129.13 55.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.379 179.685 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.682 HG22 HD22 ' B' ' 48' ' ' LEU . 18.3 t -71.12 126.19 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.264 -179.637 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -130.74 -9.33 3.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.647 -179.747 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -139.75 154.35 47.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.936 0.398 . . . . 0.0 111.332 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.616 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 10.9 p -89.16 165.4 14.5 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 82' ' ' GLY . . . . . 0.406 ' HA3' HG11 ' B' ' 47' ' ' VAL . . . 134.59 170.1 12.14 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.586 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -99.28 127.33 45.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.339 . . . . 0.0 111.058 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -149.87 175.88 11.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -149.75 111.77 4.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.784 -179.608 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.463 ' HA ' ' O ' ' B' ' 42' ' ' ASN . 58.1 tp -63.52 152.0 39.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.963 0.411 . . . . 0.0 111.007 -179.694 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.532 ' HB3' ' HB2' ' B' ' 41' ' ' ARG . 67.5 mm-40 -151.68 134.23 15.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.337 -179.159 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 mp -146.26 145.54 30.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.057 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.447 HG23 ' HG2' ' B' ' 91' ' ' ARG . 28.2 m -144.63 150.76 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.618 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 90' ' ' TYR . . . . . 0.664 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 15.4 t80 -94.61 101.57 13.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.977 0.418 . . . . 0.0 111.299 -179.409 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.447 ' HG2' HG23 ' B' ' 89' ' ' VAL . 37.8 ptt180 -169.17 154.23 5.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.569 179.8 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.622 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 80.0 mtt180 -58.8 145.43 78.55 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.517 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 93' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 5.2 Cg_exo -76.95 -25.01 9.35 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.129 2.553 . . . . 0.0 114.014 -178.676 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 94' ' ' TRP . . . . . 0.476 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 28.5 p90 -93.83 14.99 17.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.913 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.622 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 38.6 mt-10 -92.17 131.16 37.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 179.622 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -88.89 97.03 10.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 56.4 89.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.06 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.09 143.85 38.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.09 115.89 33.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.47 146.85 28.01 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.511 2.141 . . . . 0.0 112.363 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 101' ' ' ALA . . . . . 0.462 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -65.7 -59.5 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.606 179.738 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.664 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 19.6 mt-10 -99.43 -175.54 3.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.727 179.549 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 38.4 t -165.32 162.83 19.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -168.59 157.82 8.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.763 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 97.2 p -168.75 151.64 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.006 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 106' ' ' CYS . . . . . 0.48 ' HB3' ' HB2' ' B' ' 13' ' ' CYS . 1.5 m -145.11 164.17 32.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.264 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.72 ' HB1' ' HG ' ' B' ' 16' ' ' LEU . . . -113.98 131.98 56.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.009 -179.567 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 31.3 mt -143.72 111.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.416 . . . . 0.0 111.577 -179.778 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -135.8 98.19 3.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.185 179.51 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.616 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 32.7 t -60.99 -93.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.476 -179.103 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.511 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 40.7 mmt180 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.019 179.696 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 96.2 mmm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.776 0.322 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -156.39 158.49 28.73 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.387 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 55.9 m -94.71 129.94 41.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.712 0.291 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 46.3 t -150.37 166.19 30.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.776 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -78.43 2.56 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -64.46 97.98 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 39.1 m80 59.74 -85.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -133.05 164.45 26.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.96 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -91.42 -56.12 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -142.75 151.27 41.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.787 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.0 p -58.47 116.7 3.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 54.0 m -80.62 179.46 7.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 100.79 -120.06 6.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.419 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.86 134.69 36.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.955 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 34.4 m -129.22 146.7 61.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.11 -179.844 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -60.25 153.65 57.82 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.634 2.223 . . . . 0.0 112.174 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -161.41 141.03 10.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 115.06 -108.91 2.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.473 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 48.9 m -99.79 131.0 46.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -111.91 -39.85 4.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 30.7 mmt -69.05 -19.53 64.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -122.68 102.25 7.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.635 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.562 ' O ' ' HB2' ' B' ' 22' ' ' GLN . 50.2 mtpt -148.77 163.52 25.46 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.217 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.503 ' HD2' ' HB3' ' B' ' 2' ' ' LYS . 19.2 Cg_endo -53.41 -5.46 0.26 Allowed 'Trans proline' 0 CA--C 1.513 -0.547 0 C-N-CA 123.347 2.698 . . . . 0.0 112.558 -178.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.517 ' O ' ' HA ' ' B' ' 24' ' ' LEU . 57.5 t -150.69 -81.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.902 178.903 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.541 HG22 ' HB2' ' B' ' 2' ' ' LYS . 40.6 t 78.5 104.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.441 -178.707 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.87 153.67 25.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.209 -179.535 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 64.1 tp -140.27 150.79 44.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.669 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -142.71 -32.18 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.004 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -89.87 178.86 6.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.88 -21.26 4.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.159 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -78.54 -16.83 57.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -86.12 10.31 14.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 36.1 m -93.65 152.32 19.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.928 0.394 . . . . 0.0 111.325 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 16.6 t -174.05 150.18 1.57 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.269 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -55.97 86.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.187 1.924 . . . . 0.0 111.825 179.555 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.429 HD12 ' H ' ' B' ' 17' ' ' LYS . 59.2 tp -100.57 152.25 20.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.49 -179.342 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.429 ' H ' HD12 ' B' ' 16' ' ' LEU . 19.5 mttp -101.79 94.18 5.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.677 179.482 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.548 ' HB2' HG22 ' B' ' 110' ' ' VAL . 10.1 mp -67.66 -168.41 0.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 29.8 m -136.3 145.32 45.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -73.92 98.48 3.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.89 -19.42 0.66 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.41 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.562 ' HB2' ' O ' ' B' ' 2' ' ' LYS . 9.1 pt20 -99.32 -168.64 1.64 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.74 0.305 . . . . 0.0 110.737 179.911 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.608 ' HG2' ' HG2' ' B' ' 77' ' ' ARG . 25.2 mt-10 -145.94 -158.05 0.86 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.871 0.367 . . . . 0.0 111.217 -179.813 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.517 ' HA ' ' O ' ' B' ' 4' ' ' VAL . 8.4 tt -177.98 139.52 0.22 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.585 179.007 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.5 HG23 HG13 ' B' ' 4' ' ' VAL . 69.0 t -132.78 141.66 44.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.433 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 63.4 tp -118.43 138.73 52.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.708 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 63.7 m -136.21 113.74 10.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.304 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -144.73 150.93 48.45 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.793 179.838 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.568 ' HA ' ' HA ' ' B' ' 71' ' ' GLU . 52.1 Cg_exo -54.79 132.71 53.39 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.618 2.212 . . . . 0.0 112.028 179.885 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 51.0 p -142.63 -28.52 0.58 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.655 -179.595 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 31' ' ' ASN . . . . . 0.626 ' N ' ' HD3' ' B' ' 32' ' ' PRO . 85.2 m-20 -130.92 44.77 1.48 Allowed Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.69 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 32' ' ' PRO . . . . . 0.626 ' HD3' ' N ' ' B' ' 31' ' ' ASN . 34.5 Cg_exo -56.76 -39.0 94.49 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.02 1.813 . . . . 0.0 111.088 178.685 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 64.9 p -143.6 10.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.353 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 32.2 p 60.1 150.46 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.917 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.19 -18.89 6.48 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.12 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -143.11 115.23 8.36 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.71 0.29 . . . . 0.0 110.836 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -107.96 -167.14 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.973 0.416 . . . . 0.0 111.463 179.752 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -114.38 158.06 22.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.824 179.466 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -128.65 117.35 21.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.493 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' B' ' 43' ' ' PRO . 96.1 mt -75.67 96.21 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.703 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -80.08 -14.59 58.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.09 179.35 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.586 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 54.2 t-20 -171.3 81.04 0.51 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.477 ' HB3' HD13 ' B' ' 40' ' ' LEU . 61.3 Cg_endo -72.47 12.22 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.674 2.249 . . . . 0.0 112.717 -179.671 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.48 ' HA ' ' OD1' ' B' ' 84' ' ' ASP . . . 56.74 22.59 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.19 -8.59 5.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -70.83 -31.12 67.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.094 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.536 HG23 ' HG ' ' B' ' 48' ' ' LEU . 26.1 m -123.18 -44.94 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.66 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.612 HD11 HG21 ' B' ' 108' ' ' ILE . 17.3 mt -88.69 120.11 29.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.973 0.416 . . . . 0.0 110.728 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.489 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . 75.9 tttt -58.72 148.89 27.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -101.67 123.51 45.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.076 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mp -112.61 -179.17 3.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.785 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.83 161.54 38.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.52 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -58.8 172.02 1.78 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.805 2.337 . . . . 0.0 112.378 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -130.11 -40.31 1.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.437 ' O ' HG12 ' B' ' 55' ' ' VAL . 4.2 t -111.94 10.79 8.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.056 0.455 . . . . 0.0 110.875 -179.838 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -133.71 0.57 3.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.775 -179.872 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 54.4 m -61.85 168.27 3.2 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -97.82 -15.78 20.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 54.5 m -82.83 5.2 22.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -66.02 110.36 2.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -78.95 -64.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.7 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -89.61 142.73 27.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.668 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 51.1 m -63.68 100.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.966 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -115.73 72.29 0.26 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.174 179.699 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 27.8 mt -108.63 -143.68 0.38 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 121.157 0.503 . . . . 0.0 110.418 -179.746 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 59.9 t -114.15 -28.69 2.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 149.44 -84.17 0.17 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 71.3 p -68.37 -45.76 71.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.88 -172.54 23.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.563 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.428 ' HA3' ' HA ' ' B' ' 32' ' ' PRO . . . 82.22 58.59 2.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.568 ' HA ' ' HA ' ' B' ' 29' ' ' PRO . 47.1 mt-10 -150.03 -173.17 4.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.812 0.339 . . . . 0.0 110.79 -179.885 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 39.2 t -137.55 172.19 13.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.752 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 62.0 m -151.64 114.48 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.21 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 11.6 m-90 -115.94 117.72 30.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.688 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -101.9 137.83 39.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -141.22 134.44 29.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 77' ' ' ARG . . . . . 0.608 ' HG2' ' HG2' ' B' ' 23' ' ' GLU . 4.2 tmt_? -118.52 132.02 56.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.233 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.529 HG22 HD22 ' B' ' 48' ' ' LEU . 21.6 t -71.05 115.29 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.169 -179.425 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.489 ' HB2' ' HB2' ' B' ' 49' ' ' LYS . . . -105.1 -23.98 12.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.996 -179.37 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.63 179.33 8.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.135 0.493 . . . . 0.0 111.698 -179.753 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.686 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 5.9 p -85.19 -168.78 2.35 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.013 -179.847 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.71 156.2 11.32 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.562 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 83' ' ' ASP . . . . . 0.431 ' HB3' HE21 ' B' ' 109' ' ' GLN . 3.4 p30 -95.15 146.67 24.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.762 0.315 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.48 ' OD1' ' HA ' ' B' ' 44' ' ' ALA . 6.0 t70 -165.6 -178.53 4.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.787 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -156.33 113.95 3.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.947 -179.782 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.587 HD22 HD11 ' B' ' 88' ' ' LEU . 3.6 mt -62.02 139.07 58.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.826 179.724 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.586 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 27.4 mt-10 -139.02 116.51 11.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.057 -179.571 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.587 HD11 HD22 ' B' ' 86' ' ' LEU . 5.3 mp -132.66 120.96 22.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.747 179.749 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 23.0 m -116.09 139.29 43.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.141 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 90' ' ' TYR . . . . . 0.54 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 6.2 t80 -86.6 109.55 19.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.016 -179.469 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.458 ' NH2' ' H ' ' B' ' 98' ' ' ALA . 13.4 ptm180 -167.82 157.2 9.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 92' ' ' ARG . . . . . 0.561 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 99.4 mtt180 -64.61 125.19 88.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.521 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 93' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 24.5 Cg_exo -63.87 -26.72 67.19 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.779 2.319 . . . . 0.0 113.215 -179.165 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 94' ' ' TRP . . . . . 0.43 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 13.3 p90 -81.05 18.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.571 0.224 . . . . 0.0 111.484 -179.472 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.561 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 46.5 mt-10 -97.25 171.74 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 111.051 179.69 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.463 ' HG3' ' OD1' ' B' ' 97' ' ' ASP . 52.7 tptt -128.31 95.76 4.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 97' ' ' ASP . . . . . 0.463 ' OD1' ' HG3' ' B' ' 96' ' ' LYS . 3.0 p30 41.37 86.15 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.607 -179.479 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.458 ' H ' ' NH2' ' B' ' 91' ' ' ARG . . . -139.79 -178.3 5.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.817 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -84.04 132.42 48.24 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.085 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 100' ' ' PRO . . . . . 0.407 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 88.2 Cg_endo -94.77 176.31 1.04 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.215 2.61 . . . . 0.0 112.673 -179.703 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.09 -60.84 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.737 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.54 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 22.4 mt-10 -99.64 -173.6 2.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.566 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 79.0 p -166.32 151.25 8.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.606 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -147.6 134.94 20.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.008 0.432 . . . . 0.0 111.191 -179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 77.5 p -148.69 104.89 3.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.582 179.691 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 8.3 t -114.44 136.05 53.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.094 -179.565 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.51 134.32 34.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 108' ' ' ILE . . . . . 0.612 HG21 HD11 ' B' ' 48' ' ' LEU . 63.4 mt -144.77 124.27 6.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 -179.389 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 109' ' ' GLN . . . . . 0.431 HE21 ' HB3' ' B' ' 83' ' ' ASP . 51.0 mt-30 -135.75 153.0 51.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.519 179.464 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.686 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 18.8 t -142.55 153.56 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.373 . . . . 0.0 111.169 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.601 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 22.4 tpt180 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.838 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.506 ' O ' HG13 ' B' ' 5' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.118 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.499 HG23 ' O ' ' B' ' 25' ' ' VAL . 0.3 OUTLIER -160.54 158.02 28.43 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.261 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 61.2 tp -165.05 110.19 0.92 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.744 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.503 ' HA ' HD21 ' B' ' 28' ' ' LEU . 4.5 p30 -120.0 -41.07 2.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -64.19 143.53 57.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.48 13.15 30.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -95.11 -38.43 10.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -84.83 45.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.499 ' HB3' ' HA ' ' B' ' 106' ' ' CYS . 94.8 m -75.6 12.8 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.408 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 44.3 m -59.68 160.85 12.95 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.553 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 29.8 Cg_endo -63.59 75.89 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.272 1.981 . . . . 0.0 111.577 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.8 130.4 45.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.278 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.411 ' O ' HD12 ' B' ' 18' ' ' LEU . 4.0 mptp? -83.36 138.65 33.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.799 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.509 ' HB2' HG22 ' B' ' 110' ' ' VAL . 7.9 mp -123.5 -174.23 2.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.004 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 43.6 m -155.58 137.35 14.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.84 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -60.71 100.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 133.68 23.54 0.71 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.72 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.433 HE21 ' HB2' ' B' ' 22' ' ' GLN . 0.0 OUTLIER -130.44 133.77 46.59 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.733 179.809 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.71 -179.58 3.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.405 0.621 . . . . 0.0 111.795 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' B' ' 76' ' ' PHE . 28.5 tp -161.49 81.77 0.6 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.685 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.566 HG13 ' HG2' ' B' ' 75' ' ' ARG . 18.5 t -95.12 87.63 2.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.03 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 76.0 mt -57.53 160.58 4.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.253 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 62.5 m -152.6 108.61 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.76 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.503 HD21 ' HA ' ' B' ' 8' ' ' ASP . 78.2 mt -131.42 148.29 69.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.99 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.05 137.89 22.19 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.47 2.113 . . . . 0.0 112.353 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 75.9 p -159.76 159.17 32.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -125.5 102.23 29.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.51 2.42 5.18 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.504 2.136 . . . . 0.0 112.39 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 7.6 t -91.78 -6.2 52.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 62.3 p -101.0 -66.27 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.333 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.21 -28.52 1.68 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.04 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -84.29 105.15 14.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.907 0.384 . . . . 0.0 110.88 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -103.16 -163.2 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.017 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -109.54 107.9 18.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.639 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.0 133.37 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.982 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.581 HD21 ' HB3' ' B' ' 43' ' ' PRO . 54.6 tp -89.98 109.57 20.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.674 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -93.99 -73.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.081 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.546 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 49.5 t-20 -109.61 92.42 12.06 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.581 ' HB3' HD21 ' B' ' 40' ' ' LEU . 91.9 Cg_endo -79.59 13.61 2.05 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.533 2.155 . . . . 0.0 112.661 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.416 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 56.58 28.62 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.987 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.63 -8.53 2.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.42 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -63.67 -34.57 78.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.207 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.432 HG23 ' HG ' ' B' ' 48' ' ' LEU . 33.6 m -127.87 -36.88 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.562 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.582 HD22 HG22 ' B' ' 78' ' ' VAL . 12.6 mt -88.71 133.96 34.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.829 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -101.66 138.61 38.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.016 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.853 0.359 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 81.3 p -95.12 128.91 42.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 67.2 m -141.85 110.6 6.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.971 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 13.8 m-90 -108.87 113.29 26.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.566 ' HG2' HG13 ' B' ' 25' ' ' VAL . 96.4 mtt180 -100.29 115.76 30.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.55 ' HB2' ' HB3' ' B' ' 24' ' ' LEU . 80.3 m-85 -117.91 166.47 12.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -147.98 133.31 18.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.56 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.582 HG22 HD22 ' B' ' 48' ' ' LEU . 48.2 t -79.44 141.34 15.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.347 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -131.58 -41.79 1.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.178 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -131.66 166.82 20.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.696 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 73.0 m -93.7 -170.18 2.28 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.162 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.23 161.47 11.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.446 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -81.44 153.4 26.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.771 0.319 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -171.16 178.53 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -150.82 132.35 14.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.447 ' HG ' HD11 ' B' ' 88' ' ' LEU . 10.5 tp -92.31 136.82 32.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.588 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.546 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 10.6 mt-10 -138.01 123.97 20.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.952 0.406 . . . . 0.0 111.412 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.447 HD11 ' HG ' ' B' ' 86' ' ' LEU . 5.0 mp -140.64 133.17 28.6 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.506 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 28.1 m -116.44 167.96 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.196 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' TYR . . . . . 0.446 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 42.9 t80 -111.62 101.15 9.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.427 ' HB3' ' HA ' ' B' ' 100' ' ' PRO . 37.7 ptt180 -166.34 173.34 10.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.49 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 99.3 mtt180 -66.42 118.83 57.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.528 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 39.8 Cg_exo -61.61 -25.16 78.89 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.759 2.306 . . . . 0.0 113.124 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' TRP . . . . . 0.424 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 13.7 p90 -81.35 4.84 19.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.672 0.272 . . . . 0.0 111.517 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . 0.49 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 39.7 mt-10 -100.11 -179.17 4.06 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -143.54 115.26 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.048 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 56.49 26.6 11.09 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.7 -172.85 0.29 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -101.13 99.98 12.11 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . 0.427 ' HA ' ' HB3' ' B' ' 91' ' ' ARG . 73.6 Cg_endo -76.11 138.46 20.47 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.486 2.124 . . . . 0.0 112.616 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.48 -61.44 1.83 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.771 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.446 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 19.8 mt-10 -96.61 -174.16 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.54 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 44.9 t -163.67 172.22 14.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.286 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -169.09 141.25 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 78.6 p -173.07 111.31 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 111.068 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' CYS . . . . . 0.499 ' HA ' ' HB3' ' B' ' 13' ' ' CYS . 56.6 m -124.35 164.9 18.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.01 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.14 155.12 18.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.188 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 78.8 mt -147.16 140.97 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.633 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -147.24 121.89 9.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.645 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.696 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 17.1 t -103.89 154.13 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.024 0.44 . . . . 0.0 111.188 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.148 -0.929 . . . . 0.0 110.905 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.692 0.282 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -77.11 161.24 28.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.263 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 62.6 tp -151.49 147.41 26.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -145.15 -29.32 0.45 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -128.68 128.92 45.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.1 96.52 0.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -134.65 -55.9 0.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.975 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -76.91 -8.96 58.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.666 ' HB3' ' HA ' ' B' ' 106' ' ' CYS . 77.5 m -79.46 103.6 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.524 ' HB3' ' HD3' ' B' ' 15' ' ' PRO . 44.0 t -179.12 -49.15 0.0 OUTLIER Pre-proline 0 CA--C 1.531 0.246 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . 0.726 ' C ' HD23 ' B' ' 16' ' ' LEU . 95.0 Cg_endo -83.8 4.15 7.18 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.339 2.026 . . . . 0.0 113.968 -178.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.726 HD23 ' C ' ' B' ' 15' ' ' PRO . 0.4 OUTLIER 39.53 19.8 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.542 ' HG2' ' HG2' ' B' ' 15' ' ' PRO . 43.6 pttt -78.85 105.08 9.91 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.508 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -126.83 -168.03 1.81 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.023 0.44 . . . . 0.0 111.852 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 82.6 m -165.76 142.92 5.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.83 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.622 ' HG2' HG12 ' B' ' 78' ' ' VAL . 94.7 mt-30 -66.29 131.05 45.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.825 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.494 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 117.85 18.44 5.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.482 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -131.33 145.99 52.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.699 0.285 . . . . 0.0 110.586 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.596 ' HG2' ' HB2' ' B' ' 77' ' ' ARG . 43.8 mt-10 -117.88 -175.64 2.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.139 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.459 HD23 ' N ' ' B' ' 25' ' ' VAL . 7.2 tt -164.7 140.86 5.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.072 0.463 . . . . 0.0 111.457 179.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.459 ' N ' HD23 ' B' ' 24' ' ' LEU . 58.5 t -134.35 94.27 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.545 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.1 tp -81.29 146.25 30.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.184 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.8 m -154.68 102.82 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 88.6 mt -106.37 148.84 37.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -79.51 132.69 10.15 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.589 2.192 . . . . 0.0 112.361 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.1 p -139.91 -179.86 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.908 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . 0.415 ' ND2' HG23 ' B' ' 34' ' ' THR . 51.6 t30 -141.28 96.45 7.1 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.791 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -58.31 -19.42 42.73 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.502 2.135 . . . . 0.0 112.268 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 55.9 m -59.79 -33.87 72.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.415 HG23 ' ND2' ' B' ' 31' ' ' ASN . 71.6 p -81.21 -63.65 1.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.219 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.13 -24.55 3.25 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.047 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -77.04 98.59 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.933 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.427 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -100.24 -160.25 0.79 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.037 179.286 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.427 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 90.3 m95 -114.9 130.79 56.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.809 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -111.98 141.84 45.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -92.05 104.69 17.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.987 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -84.73 -14.57 47.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.772 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.597 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 55.4 t-20 -169.32 85.87 0.62 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.721 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -78.08 11.69 2.25 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.584 2.189 . . . . 0.0 112.674 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.415 ' C ' ' H ' ' B' ' 46' ' ' SER . . . 55.18 35.88 25.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.29 11.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.564 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.415 ' H ' ' C ' ' B' ' 44' ' ' ALA . 42.9 t -92.94 -24.5 18.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.208 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 32.8 m -136.31 -35.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.717 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.512 HD11 HG21 ' B' ' 108' ' ' ILE . 85.4 mt -86.92 147.78 25.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.991 0.424 . . . . 0.0 111.182 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' B' ' 76' ' ' PHE . 0.3 OUTLIER -124.28 -162.15 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.391 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.494 ' HB2' ' HB3' ' B' ' 77' ' ' ARG . 6.9 mmt180 . . . . . 0 N--CA 1.462 0.14 0 CA-C-O 120.725 0.298 . . . . 0.0 111.159 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.819 0.342 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 45.1 t -73.69 166.87 22.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 65.9 m -144.44 125.35 14.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 111.168 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 7.9 m-90 -125.44 137.7 54.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.698 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.444 ' HG2' HG22 ' B' ' 25' ' ' VAL . 94.4 mtt180 -131.67 147.03 52.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' B' ' 49' ' ' LYS . 1.1 m-85 -148.64 173.28 13.36 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.487 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.596 ' HB2' ' HG2' ' B' ' 23' ' ' GLU . 6.3 tpt180 -163.94 130.02 3.08 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.676 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.622 HG12 ' HG2' ' B' ' 20' ' ' GLN . 23.2 t -66.43 122.1 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.577 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.33 0.67 1.72 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.837 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -153.22 155.62 36.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.933 0.397 . . . . 0.0 111.586 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.719 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 12.1 p -87.86 164.09 16.07 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.877 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 131.2 161.94 10.41 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.677 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . 0.405 ' HA ' ' HG3' ' B' ' 109' ' ' GLN . 3.6 p30 -93.9 135.63 35.03 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.827 0.346 . . . . 0.0 111.039 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -152.58 179.66 8.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.107 0.48 . . . . 0.0 111.225 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -160.81 111.77 1.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.78 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.616 HD22 HD11 ' B' ' 88' ' ' LEU . 2.1 mt -62.04 140.27 58.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.742 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.597 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 29.0 mt-10 -138.85 116.35 11.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.221 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.616 HD11 HD22 ' B' ' 86' ' ' LEU . 5.0 mp -129.71 108.94 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.678 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 33.2 m -98.62 171.02 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 111.266 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' TYR . . . . . 0.543 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 37.0 t80 -122.0 101.98 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.93 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -164.47 177.06 8.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.484 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 98.9 mtt180 -65.15 123.11 83.15 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.633 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 3.0 Cg_exo -73.34 -11.49 24.78 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.89 2.393 . . . . 0.0 113.119 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' TRP . . . . . 0.484 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 34.5 p90 -99.32 15.16 27.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.35 . . . . 0.0 111.043 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -117.74 145.27 44.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.043 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -91.94 95.05 9.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.6 t70 57.51 95.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.41 171.25 14.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.445 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 39.6 mt-10 -68.4 112.77 12.02 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 99' ' ' GLU . 7.8 Cg_endo -88.61 139.24 3.97 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.148 2.566 . . . . 0.0 112.365 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.448 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -69.58 -60.37 2.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.668 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.543 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 19.3 mt-10 -101.18 -175.52 2.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.673 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 33.7 t -166.04 161.45 17.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.946 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -159.01 150.1 20.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.823 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 79.9 p -163.88 147.81 10.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' CYS . . . . . 0.666 ' HA ' ' HB3' ' B' ' 13' ' ' CYS . 8.8 m -142.49 139.51 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.448 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' B' ' 16' ' ' LEU . . . -84.39 127.97 34.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.042 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . 0.512 HG21 HD11 ' B' ' 48' ' ' LEU . 25.4 mt -143.57 134.02 21.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.946 0.403 . . . . 0.0 111.513 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . 0.497 ' HB2' HD12 ' B' ' 16' ' ' LEU . 26.6 tt0 -160.52 144.72 14.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.873 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.719 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 5.1 t -118.0 164.88 13.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.685 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.577 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 5.2 mpt_? . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.179 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.54 ' O ' HD12 ' B' ' 24' ' ' LEU . 84.9 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.745 0.307 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.653 HG23 HG23 ' B' ' 25' ' ' VAL . 5.0 m -83.68 164.47 19.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.068 0.461 . . . . 0.0 111.629 -179.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.473 ' N ' HG22 ' B' ' 6' ' ' THR . 59.7 mt -141.09 -176.19 4.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.444 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -166.46 -26.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.302 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -142.75 162.02 36.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.009 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.02 -38.53 20.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.482 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -56.72 -30.59 63.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.62 -25.41 41.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.974 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 90.4 m -64.6 131.02 45.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.506 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 20.0 m -147.35 161.43 36.18 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.423 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 19.0 Cg_endo -59.12 82.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.334 2.023 . . . . 0.0 111.85 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 42.7 tp -81.13 163.4 23.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.116 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.497 ' HD3' ' H ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -109.27 81.36 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.798 179.779 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 mp -71.8 -170.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.284 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.8 t -171.88 155.03 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.928 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.531 HE21 ' HA ' ' B' ' 80' ' ' ALA . 94.2 mt-30 -54.59 105.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.727 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 141.55 -16.1 2.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.326 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -100.3 165.83 11.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.663 0.268 . . . . 0.0 110.431 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.482 ' HG2' ' HA ' ' B' ' 77' ' ' ARG . 44.8 mt-10 -141.71 -161.23 1.19 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.835 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.54 HD12 ' O ' ' B' ' 5' ' ' VAL . 1.7 tp -159.85 151.4 19.95 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.281 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.653 HG23 HG23 ' B' ' 6' ' ' THR . 0.8 OUTLIER -141.87 89.26 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.629 178.805 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.43 ' HB2' ' HB2' ' B' ' 74' ' ' TRP . 97.8 mt -65.16 146.8 54.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.6 m -142.65 127.07 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.811 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.616 ' N ' HD13 ' B' ' 28' ' ' LEU . 0.0 OUTLIER -149.93 163.8 23.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.957 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -82.93 119.24 2.83 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 123.038 2.492 . . . . 0.0 112.018 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 80.3 p -161.1 -173.98 4.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.998 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . 0.455 ' HB3' ' HD2' ' B' ' 32' ' ' PRO . 77.4 m-20 -130.49 159.03 72.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.549 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' B' ' 31' ' ' ASN . 43.0 Cg_endo -65.13 -150.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.583 2.189 . . . . 0.0 112.191 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . 0.402 ' H ' ' HB2' ' B' ' 32' ' ' PRO . 73.9 p -56.26 83.84 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 111.265 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.451 ' N ' ' O ' ' B' ' 32' ' ' PRO . 56.3 p -120.61 -62.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.154 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.36 -60.44 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.645 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -93.38 114.37 26.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 111.273 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -113.51 -159.64 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.22 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -121.05 122.11 39.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.917 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -100.12 150.24 22.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.733 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 97.8 mt -95.52 100.67 12.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.191 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.447 HH11 ' NH2' ' B' ' 91' ' ' ARG . 24.2 mmm180 -71.86 -25.14 61.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.398 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.595 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 59.8 t30 -169.77 91.62 0.53 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.572 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -73.68 14.63 0.62 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.592 2.195 . . . . 0.0 112.746 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.416 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 54.18 27.52 7.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.936 0.398 . . . . 0.0 111.085 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.63 -11.51 3.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.403 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 44.9 t -62.18 -37.0 83.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.042 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.463 HG23 ' HG ' ' B' ' 48' ' ' LEU . 27.9 m -125.87 -42.26 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.474 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.547 HD22 HG22 ' B' ' 78' ' ' VAL . 15.7 mt -83.53 162.45 20.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.628 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -121.25 144.67 48.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.7 179.759 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.772 0.32 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 49.4 m -87.96 112.29 22.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 61.4 m -112.56 121.41 44.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.43 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 78.4 m95 -101.6 113.86 27.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.825 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.61 ' HG2' HG12 ' B' ' 25' ' ' VAL . 72.9 mtp180 -101.43 127.72 47.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -135.24 141.49 45.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.482 ' HA ' ' HG2' ' B' ' 23' ' ' GLU . 8.5 tpp180 -121.85 136.19 54.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.562 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.547 HG22 HD22 ' B' ' 48' ' ' LEU . 62.1 t -75.65 128.3 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.829 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -112.84 -39.64 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.654 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.531 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -135.48 156.99 48.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.803 0.335 . . . . 0.0 111.222 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.463 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 28.8 p -73.97 -174.12 1.77 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.89 156.39 13.4 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.495 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . 0.481 ' HA ' ' HA ' ' B' ' 109' ' ' GLN . 3.8 p30 -90.68 147.05 23.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.804 0.335 . . . . 0.0 111.247 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -162.61 -172.57 3.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.591 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -156.0 119.1 4.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.161 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.477 ' HG ' HD12 ' B' ' 108' ' ' ILE . 11.9 mt -70.44 140.45 51.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.746 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.595 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 18.6 mt-10 -136.04 118.92 16.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.5 mp -131.16 153.4 49.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.607 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.449 HG22 ' N ' ' B' ' 90' ' ' TYR . 8.5 p -141.81 156.39 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.065 0.459 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' TYR . . . . . 0.48 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 61.8 t80 -105.68 109.66 21.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.887 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.463 ' HD3' ' HB3' ' B' ' 100' ' ' PRO . 38.3 ptt180 -169.51 176.97 4.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.415 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 97.4 mtt180 -61.63 127.7 89.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.377 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.97 -23.0 19.02 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.553 2.168 . . . . 0.0 113.377 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' TRP . . . . . 0.415 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 6.5 p90 -80.33 -13.34 59.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.655 0.264 . . . . 0.0 111.383 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -84.11 145.35 28.47 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.753 0.311 . . . . 0.0 111.067 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -92.72 -45.72 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.731 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -152.89 102.19 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.762 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.69 -170.38 3.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -89.96 108.11 23.71 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . 0.463 ' HB3' ' HD3' ' B' ' 91' ' ' ARG . 70.7 Cg_endo -74.39 -175.95 2.49 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.587 2.191 . . . . 0.0 112.361 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -112.59 -64.49 1.29 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.228 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.48 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 5.3 mm-40 -100.68 -163.78 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.267 0.556 . . . . 0.0 112.051 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 79.2 p -169.34 155.94 6.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.612 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -163.31 116.96 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.909 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 80.0 p -134.09 150.84 51.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 71.8 m -146.5 151.58 37.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -94.68 140.07 30.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.27 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . 0.502 HG21 HD11 ' B' ' 48' ' ' LEU . 95.9 mt -145.53 117.64 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.037 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' B' ' 83' ' ' ASP . 25.8 mt-30 -126.88 141.31 51.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.745 HG12 ' H ' ' B' ' 111' ' ' ARG . 2.2 t -120.23 178.58 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.384 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.745 ' H ' HG12 ' B' ' 110' ' ' VAL . 33.3 mmt180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.162 -0.923 . . . . 0.0 111.774 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.652 HG23 HD12 ' B' ' 24' ' ' LEU . 25.4 m . . . . . 0 C--O 1.232 0.181 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.05 170.15 10.46 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.987 0.422 . . . . 0.0 111.818 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 64.6 tp -164.02 148.95 10.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.689 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -142.57 -48.33 0.34 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.045 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -80.51 -179.7 7.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.36 -1.95 3.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.26 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -82.54 -32.0 28.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -84.88 -0.58 54.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 31.8 m -62.31 149.65 41.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.047 0.451 . . . . 0.0 111.266 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 34.2 t -170.58 147.74 2.59 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.275 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.54 83.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.345 2.03 . . . . 0.0 111.893 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' B' ' 109' ' ' GLN . 13.8 mt -76.3 178.5 6.44 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.55 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -131.1 90.67 2.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.424 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.535 ' HB2' HG22 ' B' ' 110' ' ' VAL . 10.3 mp -70.59 -170.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.975 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.0 m -146.59 138.66 24.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.048 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -58.73 97.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.802 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.448 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 153.07 -39.4 0.72 Allowed Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.005 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -86.7 -167.92 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.711 ' HB2' ' HA ' ' B' ' 77' ' ' ARG . 3.3 pt-20 -173.49 -164.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.391 -0.524 . . . . 0.0 112.133 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.652 HD12 HG23 ' B' ' 5' ' ' VAL . 0.2 OUTLIER -156.37 150.98 25.78 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.231 179.526 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.651 ' N ' ' HG ' ' B' ' 24' ' ' LEU . 73.5 t -129.06 115.0 34.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.588 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.469 ' HG ' HD21 ' B' ' 24' ' ' LEU . 90.5 mt -88.09 157.82 18.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.283 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 87.3 m -158.35 107.51 2.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . 86.9 mt -126.99 142.48 43.8 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.944 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 28' ' ' LEU . 21.0 Cg_exo -65.54 148.29 87.41 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.671 2.247 . . . . 0.0 112.262 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 63.1 p -169.47 117.56 0.62 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -87.96 113.59 55.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.18 -0.53 8.73 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.45 2.1 . . . . 0.0 112.415 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 56.1 m -72.85 -29.93 63.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 51.9 p -82.7 -67.42 0.79 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.308 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.1 -32.6 1.88 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.172 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -70.56 98.21 1.44 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.996 0.427 . . . . 0.0 110.878 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.452 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 14.9 mmm180 -93.84 -160.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.111 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.452 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 95.4 m95 -115.13 124.23 50.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.875 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -109.95 134.12 52.44 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.433 HD23 ' HG ' ' B' ' 88' ' ' LEU . 96.0 mt -83.43 100.2 10.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -74.29 -20.82 60.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.553 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.571 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 61.5 t30 -168.65 92.6 0.6 Allowed Pre-proline 0 CA--C 1.529 0.168 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.739 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -78.56 12.42 2.16 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.644 2.229 . . . . 0.0 112.806 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.525 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 53.52 32.5 14.32 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.812 0.339 . . . . 0.0 110.737 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.26 -17.34 1.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.896 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.421 ' HB3' ' OD1' ' B' ' 84' ' ' ASP . 39.4 t -59.05 -23.93 62.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.394 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 m -137.68 -27.13 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.525 HD12 ' HB3' ' B' ' 44' ' ' ALA . 79.7 mt -94.51 155.4 16.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.817 0.342 . . . . 0.0 110.999 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.509 ' HA ' ' HE3' ' B' ' 49' ' ' LYS . 0.2 OUTLIER -135.4 -155.96 0.68 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.551 179.842 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.595 ' HG3' ' HB2' ' B' ' 77' ' ' ARG . 3.4 mmp_? . . . . . 0 C--N 1.332 -0.189 0 CA-C-O 121.065 0.459 . . . . 0.0 111.083 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.908 0.385 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 58.0 m -99.77 143.64 29.76 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.121 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 59.3 m -146.3 121.99 10.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.404 ' HB3' ' CE1' ' B' ' 76' ' ' PHE . 7.9 m-90 -125.08 153.67 42.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.444 ' HD2' ' HB3' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -150.16 116.76 5.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.77 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.549 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 0.2 OUTLIER -121.05 145.77 47.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.025 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.711 ' HA ' ' HB2' ' B' ' 23' ' ' GLU . 2.9 tmt_? -114.88 138.71 50.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.742 0.306 . . . . 0.0 110.936 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.535 ' N ' ' HD3' ' B' ' 77' ' ' ARG . 61.5 t -61.98 108.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.063 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.446 ' HB2' ' HB2' ' B' ' 49' ' ' LYS . . . -85.89 -59.01 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -142.09 -177.36 5.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.117 0.484 . . . . 0.0 111.42 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.572 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 58.5 m -84.48 174.18 10.25 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.981 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.2 158.49 9.82 Favored Glycine 0 N--CA 1.453 -0.227 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.449 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -94.59 132.06 39.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 111.268 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.421 ' OD1' ' HB3' ' B' ' 46' ' ' SER . 4.0 m-20 -148.12 -178.33 6.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -156.39 118.77 4.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.56 ' HG ' HD12 ' B' ' 108' ' ' ILE . 17.0 mt -67.56 142.29 56.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.996 0.427 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.571 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 25.5 mt-10 -135.68 106.88 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.663 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.466 ' N ' HD12 ' B' ' 88' ' ' LEU . 5.4 mp -119.17 115.3 23.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.767 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 35.1 m -107.7 138.86 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' TYR . . . . . 0.537 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 56.2 t80 -87.12 101.18 13.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.82 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.544 ' HD3' ' HG3' ' B' ' 100' ' ' PRO . 40.3 ptt180 -163.89 -175.6 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -78.61 114.05 39.98 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.574 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.48 -29.22 45.15 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.623 2.215 . . . . 0.0 113.171 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' TRP . . . . . . . . . . . . . 7.9 p90 -71.03 -5.33 30.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.581 0.229 . . . . 0.0 111.311 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -96.6 160.85 14.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 0.0 110.956 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -91.16 -58.28 2.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -140.81 108.05 5.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.51 146.18 31.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.026 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.424 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 7.0 pt-20 -59.91 111.59 4.13 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . 0.544 ' HG3' ' HD3' ' B' ' 91' ' ' ARG . 3.0 Cg_exo -74.22 139.86 27.05 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.666 2.244 . . . . 0.0 112.206 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.15 -58.95 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.719 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.537 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 5.2 mm-40 -104.23 -161.89 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.388 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . 0.413 ' H ' ' HB3' ' B' ' 102' ' ' GLU . 80.2 p -171.83 153.53 3.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.975 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -153.36 143.3 22.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.981 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 80.0 p -159.88 137.86 10.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.622 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 8.4 t -142.81 138.95 30.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.997 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.29 133.08 38.9 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.151 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . 0.56 HD12 ' HG ' ' B' ' 86' ' ' LEU . 96.3 mt -146.04 106.02 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.252 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' B' ' 16' ' ' LEU . 82.7 mt-30 -119.63 170.85 8.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.757 0.313 . . . . 0.0 110.779 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.572 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 21.7 t -141.72 155.61 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.736 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.433 ' N ' HG12 ' B' ' 110' ' ' VAL . 24.0 tpt180 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.395 -0.812 . . . . 0.0 110.983 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 121.071 0.463 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 m -74.26 162.54 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.659 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 60.8 tp -161.97 150.72 15.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.511 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -138.97 -42.05 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.014 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -91.88 152.69 19.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.536 ' C ' ' H ' ' B' ' 12' ' ' ASP . . . -85.84 -176.78 6.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.248 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 t70 64.1 -15.53 0.08 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.282 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.536 ' H ' ' C ' ' B' ' 10' ' ' ALA . 5.0 m-20 -107.97 14.06 25.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.997 0.427 . . . . 0.0 110.441 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' B' ' 106' ' ' CYS . 61.4 m -61.33 -173.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.018 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 52.0 m -84.5 125.06 72.62 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.257 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . 0.497 ' O ' ' N ' ' B' ' 17' ' ' LYS . 24.6 Cg_exo -63.01 79.84 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.357 2.038 . . . . 0.0 112.656 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.654 ' HG ' ' HB1' ' B' ' 107' ' ' ALA . 1.8 mp 45.13 -86.68 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.389 0.614 . . . . 0.0 112.112 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.566 ' H ' ' HD2' ' B' ' 17' ' ' LYS . 13.0 mptt -33.26 117.83 0.29 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.383 -1.28 . . . . 0.0 112.172 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.85 -161.84 1.14 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.728 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 27.9 m -158.66 145.13 17.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.481 ' HA ' HG12 ' B' ' 78' ' ' VAL . 19.8 mp0 -73.18 112.96 9.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.656 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 145.28 -18.99 1.9 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.396 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.9 172.64 6.68 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.648 0.261 . . . . 0.0 110.386 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.559 ' HB3' ' HD3' ' B' ' 77' ' ' ARG . 9.3 pt-20 -154.02 -171.61 3.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.088 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.448 HD23 ' N ' ' B' ' 25' ' ' VAL . 9.7 tt -161.52 149.6 15.29 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.061 0.458 . . . . 0.0 111.48 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.476 HG22 ' HG3' ' B' ' 75' ' ' ARG . 91.8 t -136.03 104.96 4.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.508 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 51.1 tp -88.9 147.23 24.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 88.7 m -154.85 114.43 3.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 80.5 mt -115.3 154.12 47.48 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -83.07 125.24 4.03 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.538 2.159 . . . . 0.0 112.628 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 48.4 t -172.44 113.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.808 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -76.46 139.36 67.57 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -79.22 -9.71 15.13 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.625 2.217 . . . . 0.0 112.535 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 66.8 p -79.78 -0.4 34.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 67.4 p -100.3 -57.93 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.38 -43.29 1.23 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.123 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -75.35 100.74 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.807 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.554 ' HB2' ' HG3' ' B' ' 93' ' ' PRO . 14.0 mmm180 -106.26 -160.16 0.73 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.272 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.471 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 93.1 m95 -124.26 129.39 50.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.734 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -116.66 153.73 31.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.208 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.565 HD23 ' HG ' ' B' ' 88' ' ' LEU . 80.0 mt -96.14 97.85 9.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -67.03 -20.68 65.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.415 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.602 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 61.3 t30 -167.59 93.09 0.67 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.483 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.14 -5.8 17.28 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.531 2.154 . . . . 0.0 112.914 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.499 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 57.84 24.69 11.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.791 0.329 . . . . 0.0 110.711 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.15 -11.56 1.72 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.57 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.3 m -61.14 -33.49 73.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.419 HG11 ' HA3' ' B' ' 82' ' ' GLY . 34.3 m -126.41 -23.99 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.895 0.378 . . . . 0.0 111.326 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.499 HD12 ' HB3' ' B' ' 44' ' ' ALA . 90.4 mt -96.4 145.3 25.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.1 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -119.73 -161.37 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.165 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.559 ' HD3' ' HB3' ' B' ' 77' ' ' ARG . 9.6 mpt_? . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.629 0.252 . . . . 0.0 111.433 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 58.9 m -65.04 143.6 57.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 68.1 m -136.37 110.45 8.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.07 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -117.07 124.81 50.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.737 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.476 ' HG3' HG22 ' B' ' 25' ' ' VAL . 48.7 ttp180 -137.65 137.15 38.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.302 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.55 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 0.0 OUTLIER -153.28 164.59 37.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.148 179.34 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.559 ' HB3' ' HD3' ' B' ' 50' ' ' ARG . 3.6 tpp180 -136.47 146.19 46.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.982 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.481 HG12 ' HA ' ' B' ' 20' ' ' GLN . 60.7 t -80.4 105.99 10.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 110.355 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.63 -59.02 2.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.817 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -126.25 -175.12 3.28 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.239 0.543 . . . . 0.0 111.719 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.761 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 6.4 p -83.43 -168.19 2.0 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.273 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . 0.419 ' HA3' HG11 ' B' ' 47' ' ' VAL . . . 118.36 167.72 14.08 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.311 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -107.74 133.27 52.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.123 0.487 . . . . 0.0 111.48 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -161.02 -178.78 7.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.668 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -162.01 116.43 1.89 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.812 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.644 HD12 HD11 ' B' ' 88' ' ' LEU . 0.3 OUTLIER -62.54 129.61 41.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.45 179.736 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.602 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 26.5 mt-10 -128.42 125.29 38.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.059 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.644 HD11 HD12 ' B' ' 86' ' ' LEU . 4.7 mp -132.33 161.13 34.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.787 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.466 HG22 ' N ' ' B' ' 90' ' ' TYR . 13.4 p -150.16 159.54 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.932 0.396 . . . . 0.0 111.254 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' TYR . . . . . 0.535 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 48.9 t80 -109.85 100.72 9.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.05 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.418 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 39.2 ptt180 -167.52 163.29 14.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.774 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.479 ' HA ' ' HD3' ' B' ' 93' ' ' PRO . 87.4 mtt180 -60.61 134.07 91.7 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.455 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' PRO . . . . . 0.554 ' HG3' ' HB2' ' B' ' 37' ' ' ARG . 2.5 Cg_endo -81.59 27.75 0.57 Allowed 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.259 2.639 . . . . 0.0 114.879 -177.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' TRP . . . . . 0.429 ' CZ3' ' HG2' ' B' ' 95' ' ' GLU . 25.7 p-90 -129.88 -13.05 4.17 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.396 0.617 . . . . 0.0 109.488 178.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . 0.429 ' HG2' ' CZ3' ' B' ' 94' ' ' TRP . 31.4 mt-10 -69.16 163.71 24.25 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.134 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -105.93 -57.87 1.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.623 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -147.06 97.78 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.56 135.56 17.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.69 130.33 90.41 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . 0.418 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 67.6 Cg_endo -85.72 -161.14 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.656 2.237 . . . . 0.0 112.471 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -118.4 -19.93 8.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.535 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 25.4 mt-10 -135.85 -174.42 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.153 0.502 . . . . 0.0 111.494 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.2 p -173.08 154.29 2.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.556 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -157.7 151.38 23.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.773 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 47.9 t -171.86 144.85 1.82 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.852 0.358 . . . . 0.0 111.216 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' B' ' 13' ' ' CYS . 93.5 m -136.3 135.46 38.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.654 ' HB1' ' HG ' ' B' ' 16' ' ' LEU . . . -72.27 129.21 37.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . 0.538 HD12 HD23 ' B' ' 86' ' ' LEU . 3.4 mt -138.18 90.82 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.539 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . 0.568 ' HB3' ' HB3' ' B' ' 16' ' ' LEU . 35.5 tt0 -120.92 99.79 6.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.219 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.761 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 2.3 t -86.15 161.46 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.012 0.434 . . . . 0.0 111.28 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.721 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 27.2 tpt180 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.729 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.719 ' HA ' HD12 ' B' ' 24' ' ' LEU . 2.5 p . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.705 0.288 . . . . 0.0 111.685 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.775 HG21 ' HA ' ' B' ' 25' ' ' VAL . 90.1 m -154.01 -91.64 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.063 0.459 . . . . 0.0 111.662 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' B' ' 25' ' ' VAL . 1.3 mm? -100.73 -174.72 2.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.861 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.416 ' HA ' ' HB ' ' B' ' 27' ' ' THR . 19.0 t70 -169.7 -27.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.37 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -136.49 -168.14 2.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.62 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.39 14.73 15.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.373 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -118.27 -10.46 10.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -88.1 8.7 25.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.07 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.525 ' HB3' ' HA ' ' B' ' 106' ' ' CYS . 71.6 m -70.56 134.69 47.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.999 0.428 . . . . 0.0 110.889 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 10.8 p -172.52 158.7 3.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.511 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.82 78.73 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.194 1.929 . . . . 0.0 111.861 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 tp -69.42 117.78 11.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.049 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -76.48 131.19 38.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.768 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' B' ' 19' ' ' THR . 31.5 tp 62.71 164.82 0.11 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.852 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.857 HG23 HG11 ' B' ' 78' ' ' VAL . 3.8 t 172.2 -20.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 112.003 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.416 ' HG3' ' CG1' ' B' ' 110' ' ' VAL . 93.7 mt-30 -40.92 114.37 0.47 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.991 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.0 43.39 2.62 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.064 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -143.78 126.89 16.51 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -83.43 -173.43 4.71 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.22 0.533 . . . . 0.0 111.933 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' B' ' 5' ' ' VAL . 0.5 OUTLIER 73.55 -158.11 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.811 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.775 ' HA ' HG21 ' B' ' 6' ' ' THR . 6.2 p 163.04 -45.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.103 0 C-N-CA 122.964 0.506 . . . . 0.0 110.575 -178.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.532 HD11 HD21 ' B' ' 86' ' ' LEU . 76.8 mt -151.69 161.44 42.66 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.111 0.482 . . . . 0.0 111.521 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.416 ' HB ' ' HA ' ' B' ' 8' ' ' ASP . 61.6 m -156.67 96.62 1.65 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.718 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.9 mt -144.0 152.83 56.04 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.009 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' B' ' 71' ' ' GLU . 97.8 Cg_endo -87.94 153.69 7.19 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.783 2.322 . . . . 0.0 112.287 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 61.4 p -168.63 161.47 11.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -96.79 104.7 19.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . 0.509 ' HA ' ' HD3' ' B' ' 37' ' ' ARG . 72.1 Cg_endo -73.44 151.98 48.53 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.566 2.177 . . . . 0.0 112.501 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 66.7 p 49.87 24.84 1.4 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.592 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 72.5 m -107.66 -38.58 5.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.24 -63.28 0.46 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.404 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -79.09 107.06 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.57 ' HB2' ' HG3' ' B' ' 93' ' ' PRO . 17.4 mmm180 -122.75 -160.93 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.326 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.451 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 96.4 m95 -125.7 123.1 38.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.936 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -101.17 159.35 15.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.749 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.501 HD23 ' HG ' ' B' ' 88' ' ' LEU . 89.0 mt -100.85 104.93 16.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.286 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -80.67 -21.5 41.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.246 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.604 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 8.7 t30 -169.62 84.8 0.61 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.154 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.431 ' HA ' ' CD1' ' B' ' 86' ' ' LEU . 42.0 Cg_endo -65.26 -1.75 4.96 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.704 2.269 . . . . 0.0 113.098 -178.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 54.76 24.71 5.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.959 0.409 . . . . 0.0 110.388 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.14 -13.64 2.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.372 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.1 t -61.35 -27.2 68.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.443 ' HA ' ' HB3' ' B' ' 80' ' ' ALA . 29.1 m -131.17 -7.19 2.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.773 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.619 HD22 HG22 ' B' ' 78' ' ' VAL . 27.0 mt -114.59 137.91 51.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.8 0.333 . . . . 0.0 111.199 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -100.63 144.79 29.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . 0.44 ' HA ' ' HA ' ' B' ' 29' ' ' PRO . 49.0 mt-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.786 0.327 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.1 p -64.62 103.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.39 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 58.2 m -92.15 97.75 11.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.532 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.515 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 85.1 m95 -99.42 112.36 24.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.015 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.451 ' HA ' ' HA ' ' B' ' 24' ' ' LEU . 75.6 mtm180 -134.06 103.94 6.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.8 0.333 . . . . 0.0 111.883 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -107.38 -172.44 2.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.992 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.46 ' HD3' ' O ' ' B' ' 78' ' ' VAL . 2.2 tmt_? -145.17 129.65 17.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.128 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.857 HG11 HG23 ' B' ' 19' ' ' THR . 31.1 t -77.77 144.87 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 111.641 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -156.68 6.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.954 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.488 ' O ' HG21 ' B' ' 110' ' ' VAL . . . -136.08 157.99 45.5 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.498 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 7.9 p -98.61 172.94 7.17 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.446 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.11 167.52 20.55 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.562 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . 0.586 ' HB3' HE22 ' B' ' 109' ' ' GLN . 2.3 p30 -85.22 160.98 19.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.834 0.349 . . . . 0.0 111.207 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.408 ' OD2' ' HB ' ' B' ' 108' ' ' ILE . 7.3 p-10 -171.51 178.18 3.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.815 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -161.73 99.72 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.532 HD21 HD11 ' B' ' 26' ' ' LEU . 63.8 tp -60.0 141.09 56.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.585 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.604 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 23.5 mt-10 -140.55 133.61 29.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.584 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.595 ' HB2' ' HB3' ' B' ' 104' ' ' PHE . 6.2 mp -138.95 169.75 17.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.372 179.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.5 ' HA ' ' HA ' ' B' ' 103' ' ' SER . 14.9 p -149.44 157.91 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.018 0.437 . . . . 0.0 111.042 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' TYR . . . . . 0.453 ' N ' HG22 ' B' ' 89' ' ' VAL . 13.1 t80 -103.82 103.34 13.2 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.033 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.548 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 39.1 ptt180 -170.89 173.14 5.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.468 ' HA ' ' HD3' ' B' ' 93' ' ' PRO . 97.7 mtt180 -68.99 137.14 89.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.477 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' PRO . . . . . 0.57 ' HG3' ' HB2' ' B' ' 37' ' ' ARG . 2.2 Cg_endo -82.25 27.47 0.59 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.317 2.678 . . . . 0.0 114.986 -177.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' TRP . . . . . 0.433 ' CZ3' ' HG2' ' B' ' 95' ' ' GLU . 25.4 p-90 -129.2 -12.48 4.57 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.343 0.592 . . . . 0.0 109.455 179.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . 0.433 ' HG2' ' CZ3' ' B' ' 94' ' ' TRP . 28.1 mt-10 -70.75 166.7 20.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.091 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -113.46 -41.02 3.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.546 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -167.26 103.12 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.745 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.61 -164.85 1.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.255 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -106.08 93.76 8.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.782 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . 0.548 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 50.3 Cg_endo -69.39 168.52 20.83 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.576 2.184 . . . . 0.0 112.33 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.58 -75.03 0.49 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -90.46 -177.35 5.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.388 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' B' ' 89' ' ' VAL . 49.1 m -161.6 -179.63 7.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.576 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.595 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 25.7 t80 -159.81 149.18 17.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 47.9 t -164.03 107.54 0.96 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.152 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' CYS . . . . . 0.525 ' HA ' ' HB3' ' B' ' 13' ' ' CYS . 0.1 OUTLIER -116.32 132.57 56.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.029 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.82 146.97 24.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.468 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . 0.408 ' HB ' ' OD2' ' B' ' 84' ' ' ASP . 71.9 mt -146.29 145.07 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . 0.586 HE22 ' HB3' ' B' ' 83' ' ' ASP . 5.7 tp-100 -144.95 102.43 3.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.642 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.498 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 3.5 t -68.66 -65.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.787 0.327 . . . . 0.0 111.012 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.014 -179.558 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 6.7 t . . . . . 0 CA--C 1.527 0.087 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -69.52 161.98 28.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.878 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.44 HD13 ' C ' ' B' ' 7' ' ' LEU . 2.5 tm? -162.19 113.41 1.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.183 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -109.3 -15.0 14.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -79.23 -159.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.57 -70.42 0.44 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.402 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -90.76 -8.85 48.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.178 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.7 -9.94 48.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.07 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.493 ' C ' ' HD3' ' B' ' 15' ' ' PRO . 0.7 OUTLIER -62.78 -96.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.242 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.555 ' N ' ' HD3' ' B' ' 15' ' ' PRO . 80.6 p 41.76 47.04 2.12 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.878 -178.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . 0.614 ' HD2' ' HB3' ' B' ' 107' ' ' ALA . 92.3 Cg_endo -89.13 -35.01 0.09 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 122.026 1.817 . . . . 0.0 113.072 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.703 ' HG ' ' HB1' ' B' ' 107' ' ' ALA . 4.4 mp 58.77 -89.38 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.542 0.687 . . . . 0.0 110.913 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.404 ' H ' ' HB2' ' B' ' 16' ' ' LEU . 48.9 mttm -38.5 107.27 0.06 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.297 -1.319 . . . . 0.0 111.51 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 16.5 tp -142.65 172.7 12.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.409 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.559 HG23 HH12 ' B' ' 111' ' ' ARG . 24.3 m -154.32 145.76 23.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.933 0.397 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.475 ' HG3' HG12 ' B' ' 78' ' ' VAL . 18.7 mp0 -53.27 143.41 18.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.959 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.426 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 117.44 -10.86 14.42 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.427 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -111.8 152.93 27.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.92 0.39 . . . . 0.0 110.643 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.402 ' HG2' ' HD3' ' B' ' 77' ' ' ARG . 37.7 mt-10 -127.99 -167.79 1.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.912 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.413 HD23 ' N ' ' B' ' 25' ' ' VAL . 8.9 tt -166.21 150.1 7.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.033 0.444 . . . . 0.0 111.413 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.513 HG22 ' HG2' ' B' ' 75' ' ' ARG . 65.3 t -138.47 107.64 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.819 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.427 ' HB2' ' HB2' ' B' ' 74' ' ' TRP . 94.6 mt -77.91 158.58 29.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 59.2 m -153.88 102.88 2.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . 82.0 mt -132.2 138.14 31.63 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 28' ' ' LEU . 23.6 Cg_exo -64.56 150.05 88.88 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.623 2.215 . . . . 0.0 112.282 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.4 ' HB3' ' HE1' ' B' ' 38' ' ' TRP . 88.5 p -164.65 132.91 3.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.694 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -108.06 104.02 52.1 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.019 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . 0.502 ' HB3' HH12 ' B' ' 37' ' ' ARG . 35.6 Cg_exo -57.92 -22.0 52.25 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.49 2.127 . . . . 0.0 112.302 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 77.8 p -63.02 -41.91 99.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.249 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 77.9 p -71.78 -63.77 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.242 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.7 -13.13 4.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.253 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -75.82 91.09 2.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.127 0.489 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.502 HH12 ' HB3' ' B' ' 32' ' ' PRO . 3.9 tpt180 -90.96 -146.93 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.248 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.4 ' HE1' ' HB3' ' B' ' 30' ' ' SER . 95.2 m95 -137.2 137.92 39.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.859 0.362 . . . . 0.0 110.937 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.493 ' HG2' HH21 ' B' ' 91' ' ' ARG . 8.9 tp10 -117.88 137.98 52.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.417 HD13 ' HB3' ' B' ' 43' ' ' PRO . 95.7 mt -89.97 108.78 19.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.523 ' NE ' ' HA ' ' B' ' 41' ' ' ARG . 4.0 mmp_? -82.57 -17.13 45.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.512 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.592 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 59.8 t30 -174.58 86.12 0.33 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.659 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.432 ' HA ' ' CD1' ' B' ' 86' ' ' LEU . 60.9 Cg_endo -71.87 0.93 6.38 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.587 2.192 . . . . 0.0 112.631 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.71 22.25 6.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.873 0.368 . . . . 0.0 110.929 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.85 -8.08 2.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.369 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -64.57 -34.41 78.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.25 -36.86 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.722 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.557 HD11 HG21 ' B' ' 108' ' ' ILE . 13.7 mt -86.89 133.46 33.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.8 0.333 . . . . 0.0 110.817 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -87.96 137.05 32.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.981 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.8 0.334 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 54.9 m -121.1 109.14 14.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 58.1 m -114.04 129.6 56.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.427 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 80.5 m95 -125.2 146.59 49.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.513 ' HG2' HG22 ' B' ' 25' ' ' VAL . 93.6 mtt180 -137.18 135.81 37.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.703 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.76 153.96 49.65 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.967 0.413 . . . . 0.0 111.431 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.426 ' NH2' ' HA2' ' B' ' 21' ' ' GLY . 9.9 tpt180 -140.37 136.75 33.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.647 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.548 HG22 HD22 ' B' ' 48' ' ' LEU . 28.5 t -86.21 113.16 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.848 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' B' ' 20' ' ' GLN . . . -111.16 -53.51 2.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.93 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.6 155.75 20.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.912 0.387 . . . . 0.0 111.419 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.45 ' HA ' ' CB ' ' B' ' 110' ' ' VAL . 27.2 p -77.79 -176.85 4.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.35 160.76 11.27 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.579 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -89.29 145.24 25.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.702 0.287 . . . . 0.0 110.8 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -169.42 -174.27 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -167.02 109.62 0.69 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.697 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.477 ' HA ' ' O ' ' B' ' 42' ' ' ASN . 62.0 tp -63.47 146.76 52.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.904 0.383 . . . . 0.0 110.812 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.592 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 3.4 mt-10 -145.07 135.13 23.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.496 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.421 ' HB2' ' HB3' ' B' ' 104' ' ' PHE . 5.4 mp -144.95 118.47 9.1 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 22.1 m -109.03 157.32 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.759 0.314 . . . . 0.0 110.935 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' TYR . . . . . 0.605 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 6.9 t80 -95.45 108.45 20.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.347 -179.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.493 HH21 ' HG2' ' B' ' 39' ' ' GLU . 36.6 ptt180 -173.56 172.69 3.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.337 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.639 ' H ' ' HB2' ' B' ' 96' ' ' LYS . 94.7 mtt180 -54.82 155.3 8.19 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.806 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' PRO . . . . . 0.41 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 80.6 Cg_exo -47.32 -28.05 7.7 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.941 2.428 . . . . 0.0 113.443 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' TRP . . . . . . . . . . . . . 23.0 p90 -108.45 -57.14 2.17 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.782 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' B' ' 95' ' ' GLU . 10.3 pt-20 178.44 123.19 0.05 OUTLIER 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.992 0.425 . . . . 0.0 111.407 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . 0.639 ' HB2' ' H ' ' B' ' 92' ' ' ARG . 12.5 tmtt? -103.29 91.26 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 60.09 14.3 4.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.833 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 57.01 17.02 3.14 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.414 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -124.1 96.68 41.84 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.658 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -77.79 145.54 22.86 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.974 2.45 . . . . 0.0 112.542 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.86 -66.46 0.84 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.808 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.605 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 20.9 mt-10 -85.17 -172.52 4.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.763 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 78.8 p -166.37 152.48 8.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.954 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.421 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 39.8 t80 -143.76 143.28 31.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 47.3 t -160.5 102.35 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 10.2 t -109.08 117.61 34.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.703 ' HB1' ' HG ' ' B' ' 16' ' ' LEU . . . -64.16 133.42 52.89 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . 0.557 HG21 HD11 ' B' ' 48' ' ' LEU . 59.5 mt -146.0 111.97 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.997 0.427 . . . . 0.0 111.656 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -139.85 104.56 4.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.315 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.462 HG13 ' HA ' ' B' ' 19' ' ' THR . 20.4 t -63.25 -82.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.175 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.559 HH12 HG23 ' B' ' 19' ' ' THR . 6.7 mpt_? . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.314 -0.85 . . . . 0.0 110.971 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.233 0.209 0 CA-C-O 121.007 0.432 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.429 HG22 ' N ' ' B' ' 7' ' ' LEU . 3.3 m -100.09 164.04 12.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.125 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.429 ' N ' HG22 ' B' ' 6' ' ' THR . 83.4 mt -138.27 145.88 41.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -138.21 -9.54 1.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -130.91 146.96 52.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.062 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.76 -43.83 24.69 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.055 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.6 -24.24 67.02 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.775 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -70.06 -19.8 63.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 60.7 m -69.19 155.72 39.92 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.051 0.453 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.457 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 14.3 m -153.55 159.27 32.32 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.355 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . 0.457 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 13.8 Cg_endo -56.67 89.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.177 1.918 . . . . 0.0 111.628 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 22.6 tp -41.2 99.62 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.302 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.548 ' HD3' ' H ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -76.14 98.86 4.5 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.283 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.484 ' H ' ' HA ' ' B' ' 110' ' ' VAL . 27.7 tp 63.23 162.69 0.1 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.663 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.555 HG23 ' H ' ' B' ' 20' ' ' GLN . 0.0 OUTLIER -174.53 -89.23 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.62 -179.789 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.555 ' H ' HG23 ' B' ' 19' ' ' THR . 58.6 mt-30 47.81 88.99 0.02 OUTLIER 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.096 0.474 . . . . 0.0 111.065 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.08 2.35 18.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.073 -0.584 . . . . 0.0 111.946 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.482 HE21 ' HB3' ' B' ' 22' ' ' GLN . 4.8 mt-30 -104.5 133.57 49.14 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.793 0.33 . . . . 0.0 110.464 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.46 ' HG2' HH11 ' B' ' 77' ' ' ARG . 0.0 OUTLIER -98.6 -177.99 3.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.476 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 39.0 tp -162.26 112.57 1.53 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.716 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 54.2 t -110.74 95.59 3.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.459 ' HB2' ' HB2' ' B' ' 74' ' ' TRP . 94.3 mt -73.27 156.04 38.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.049 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 68.7 m -154.07 110.28 3.28 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.413 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . 80.7 mt -132.37 137.08 29.14 Favored Pre-proline 0 C--O 1.234 0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 28' ' ' LEU . 25.8 Cg_exo -62.83 122.81 11.26 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.582 2.188 . . . . 0.0 112.344 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 45.9 t -169.19 117.34 0.64 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.759 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -84.09 123.41 75.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -74.36 -1.33 10.85 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.49 2.126 . . . . 0.0 112.413 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 71.0 p -88.83 -7.6 55.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.229 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 69.1 p -90.39 -58.7 2.4 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.0 -42.85 1.07 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.286 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -71.92 100.67 2.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.074 0.464 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -100.65 -160.87 0.82 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.993 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -115.6 106.08 13.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.971 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -87.57 140.64 29.32 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.507 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 97.2 mt -90.08 100.59 13.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.333 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.481 ' HB2' ' HB3' ' B' ' 87' ' ' GLU . 14.2 mmm180 -72.54 -25.12 61.26 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.188 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.49 ' HB3' ' HB2' ' B' ' 87' ' ' GLU . 63.5 t30 -172.73 89.95 0.4 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.493 ' HG3' HH21 ' B' ' 50' ' ' ARG . 56.2 Cg_endo -69.16 8.2 0.68 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.647 2.231 . . . . 0.0 112.79 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.407 ' HA ' ' OD1' ' B' ' 84' ' ' ASP . . . 54.41 23.69 4.65 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.848 0.356 . . . . 0.0 110.787 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.67 -14.68 3.46 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.423 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 83.1 p -60.54 -29.63 69.26 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.2 m -123.39 -31.16 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.505 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.564 HD22 HG22 ' B' ' 78' ' ' VAL . 12.2 mt -92.58 168.91 10.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.68 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -131.03 148.57 52.76 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.493 HH21 ' HG3' ' B' ' 43' ' ' PRO . 99.0 mtt180 . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.817 0.342 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 46.6 t -69.66 114.51 7.93 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 74.4 m -114.57 118.53 33.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.974 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.459 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 84.2 m95 -108.91 115.74 30.67 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.813 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -106.71 126.0 51.73 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -133.28 157.04 46.46 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.11 0.481 . . . . 0.0 111.138 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.46 HH11 ' HG2' ' B' ' 23' ' ' GLU . 9.9 tpt180 -145.23 124.78 13.19 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.318 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.564 HG22 HD22 ' B' ' 48' ' ' LEU . 61.3 t -66.36 143.85 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.196 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -131.21 -36.53 1.3 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.374 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -141.61 156.69 45.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.936 0.398 . . . . 0.0 111.381 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 43.0 p -72.97 -167.31 0.37 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.061 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 121.42 160.72 11.12 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.426 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -102.46 116.46 32.67 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.407 ' OD1' ' HA ' ' B' ' 44' ' ' ALA . 3.7 t70 -143.94 -170.27 3.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.445 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -155.87 116.92 3.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.095 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.511 HD22 HD11 ' B' ' 88' ' ' LEU . 4.1 mt -65.18 141.22 58.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.438 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.49 ' HB2' ' HB3' ' B' ' 42' ' ' ASN . 45.2 mm-40 -140.52 111.67 7.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.511 HD11 HD22 ' B' ' 86' ' ' LEU . 5.3 mp -127.44 122.49 33.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.348 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.463 HG22 ' N ' ' B' ' 90' ' ' TYR . 14.8 p -111.23 158.2 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.176 0.512 . . . . 0.0 111.207 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' TYR . . . . . 0.504 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 72.5 t80 -108.4 100.74 9.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.688 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.405 ' HB3' ' HA ' ' B' ' 100' ' ' PRO . 33.5 ptt180 -164.52 -169.34 1.73 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.052 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.416 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 97.7 mtt180 -79.55 111.49 21.41 Favored Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.586 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.8 -13.15 19.9 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.673 2.249 . . . . 0.0 113.623 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' TRP . . . . . 0.416 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 7.9 p90 -82.03 7.45 13.23 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.197 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -114.31 162.28 16.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.784 0.326 . . . . 0.0 110.977 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -84.9 -38.96 18.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.689 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -167.33 107.67 0.6 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.859 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.82 178.9 6.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.457 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 40.8 mt-10 -75.74 115.68 48.28 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.092 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' B' ' 99' ' ' GLU . 6.1 Cg_exo -79.31 159.85 26.14 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.989 2.46 . . . . 0.0 112.387 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -98.81 -68.34 0.81 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.3 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.504 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 5.5 mm-40 -100.79 -162.3 0.93 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.326 0.584 . . . . 0.0 111.805 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.3 p -168.87 157.06 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.799 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -163.41 103.5 0.95 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.682 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 28.7 m -122.34 152.28 40.3 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.096 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 63.6 m -144.98 140.29 28.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.586 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.24 148.48 27.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.448 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . 0.466 HD13 HD11 ' B' ' 48' ' ' LEU . 74.4 mt -143.19 125.93 12.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.915 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -144.58 86.54 1.82 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.771 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.484 ' HA ' ' H ' ' B' ' 18' ' ' LEU . 17.9 t -72.02 -55.56 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.128 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.462 ' HE ' HD13 ' B' ' 18' ' ' LEU . 36.0 mmt180 . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.906 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 120.875 0.369 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.423 HG23 HG23 ' B' ' 25' ' ' VAL . 2.8 m -85.67 163.26 18.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.844 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 60.9 tp -150.56 142.92 24.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -143.64 0.77 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -116.65 177.56 4.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.22 -19.8 1.46 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.149 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -88.97 -26.18 21.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.776 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -81.74 2.97 27.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 18.9 m -77.03 144.95 38.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.055 0.455 . . . . 0.0 111.39 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.436 ' O ' ' N ' ' B' ' 16' ' ' LEU . 20.0 m -158.6 160.68 29.32 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.169 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.95 83.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.316 2.011 . . . . 0.0 111.908 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' B' ' 14' ' ' SER . 10.9 mt -66.58 172.4 4.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.802 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.519 ' HD2' ' N ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -121.33 72.47 1.0 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.61 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mp -73.68 -172.24 1.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.226 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 27.2 m -156.76 151.22 25.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.519 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.605 HE21 ' HA ' ' B' ' 80' ' ' ALA . 83.9 mt-30 -56.3 97.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.437 ' HA2' HH21 ' B' ' 77' ' ' ARG . . . 139.42 2.44 1.77 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.638 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.421 ' HB3' HE21 ' B' ' 22' ' ' GLN . 8.7 mt-30 -104.75 135.47 46.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.786 0.327 . . . . 0.0 110.703 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.406 ' HG2' ' NH1' ' B' ' 77' ' ' ARG . 0.1 OUTLIER -96.64 -175.68 3.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.361 179.461 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 tt -157.13 118.09 3.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.903 0.382 . . . . 0.0 110.795 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.423 HG23 HG23 ' B' ' 6' ' ' THR . 19.9 m -106.3 148.76 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.221 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -153.5 147.24 25.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.2 m -151.73 132.91 14.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.232 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.419 ' HB3' ' HD2' ' B' ' 29' ' ' PRO . 5.5 mp -133.38 161.47 63.56 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.961 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' B' ' 28' ' ' LEU . 94.7 Cg_endo -82.48 125.22 4.37 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.531 2.154 . . . . 0.0 112.441 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.412 ' HB3' ' HE1' ' B' ' 38' ' ' TRP . 80.6 p -164.28 168.48 18.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.803 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -131.45 122.3 18.84 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.22 -0.82 10.11 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.426 2.084 . . . . 0.0 112.453 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 56.4 m -90.32 -33.35 16.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.066 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 69.6 p -66.23 -63.55 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.207 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.47 -28.57 2.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.384 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -81.02 98.76 8.11 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 111.047 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.409 ' HB2' ' HD3' ' B' ' 93' ' ' PRO . 18.1 mmm180 -101.05 -157.49 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.412 ' HE1' ' HB3' ' B' ' 30' ' ' SER . 88.3 m95 -127.15 136.56 52.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.732 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -117.32 154.86 30.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.956 0.407 . . . . 0.0 111.24 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.587 HD23 ' HG ' ' B' ' 88' ' ' LEU . 15.8 mt -102.87 98.74 8.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.201 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.465 HH11 HH22 ' B' ' 91' ' ' ARG . 31.9 mmm180 -72.53 -21.99 61.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.596 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.597 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 62.3 t30 -163.37 85.48 1.33 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.59 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.481 ' HB3' HD13 ' B' ' 40' ' ' LEU . 96.8 Cg_endo -77.9 32.24 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.82 2.346 . . . . 0.0 112.588 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.698 ' HB1' HD13 ' B' ' 48' ' ' LEU . . . 57.42 24.66 10.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.859 0.361 . . . . 0.0 110.971 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.72 -11.8 2.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.174 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -62.57 -47.75 82.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.969 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.881 HG23 HD12 ' B' ' 48' ' ' LEU . 8.3 m -128.34 -36.47 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.281 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.881 HD12 HG23 ' B' ' 47' ' ' VAL . 10.7 mp -71.78 -176.34 1.63 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.863 0.364 . . . . 0.0 110.551 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -142.97 150.14 39.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.857 0.361 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 50.7 m -98.42 114.39 26.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 74.3 m -121.5 101.8 7.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -90.38 134.52 34.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.193 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -132.36 121.41 23.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.708 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -123.28 167.31 13.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.097 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.437 HH21 ' HA2' ' B' ' 21' ' ' GLY . 8.7 tpt180 -150.38 123.31 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.523 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.661 HG22 ' HG ' ' B' ' 48' ' ' LEU . 38.5 t -65.58 151.94 9.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.04 -3.82 0.75 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.605 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -160.97 156.34 24.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 111.608 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.617 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 20.5 p -82.45 167.91 17.98 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.752 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.64 176.3 14.41 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.402 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -93.85 123.98 37.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.773 0.321 . . . . 0.0 111.042 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -139.5 -178.99 5.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.471 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -165.58 126.56 1.9 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.895 0.378 . . . . 0.0 111.229 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.604 HD23 HD12 ' B' ' 108' ' ' ILE . 1.8 mm? -75.73 113.04 12.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.754 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.597 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 27.4 mt-10 -111.13 113.3 25.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.007 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.594 HD11 HD12 ' B' ' 86' ' ' LEU . 6.1 mp -125.13 147.54 48.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.689 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 30.6 m -135.42 161.34 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.054 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' TYR . . . . . 0.537 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 17.3 t80 -102.82 101.71 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.205 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.465 HH22 HH11 ' B' ' 41' ' ' ARG . 39.4 ptt180 -160.97 167.14 27.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.605 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.436 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 77.1 mtt180 -57.44 145.66 67.19 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.489 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' PRO . . . . . 0.409 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 83.3 Cg_endo -77.96 -26.8 6.31 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.69 2.26 . . . . 0.0 113.838 -178.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' TRP . . . . . 0.436 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 19.1 p90 -90.14 7.74 36.41 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.582 -179.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -109.14 114.26 27.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.944 0.402 . . . . 0.0 110.824 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . 0.459 ' HB3' ' NZ ' ' B' ' 96' ' ' LYS . 3.0 mmmp? -80.27 -16.39 54.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -148.7 94.66 2.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.96 135.26 15.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.893 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -60.62 112.96 6.41 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -78.68 151.52 25.13 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.588 2.192 . . . . 0.0 112.605 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.436 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -79.85 -65.63 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.786 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.537 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 19.0 mt-10 -85.9 -172.54 4.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.768 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.0 p -164.21 155.27 15.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.479 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 60.0 t80 -147.91 146.87 29.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.076 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 46.8 t -163.58 113.19 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.616 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 6.2 t -121.33 118.08 28.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.098 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.82 135.29 53.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . 0.604 HD12 HD23 ' B' ' 86' ' ' LEU . 86.6 mt -144.31 114.4 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.511 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' B' ' 17' ' ' LYS . 25.5 mt-30 -118.87 112.62 19.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.57 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.617 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 39.5 t -65.57 -86.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.905 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.503 ' HB3' ' HB2' ' B' ' 81' ' ' SER . 25.2 tpt180 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.76 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 121.039 0.447 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.3 m -72.07 163.1 28.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.566 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.497 HD21 ' SG ' ' B' ' 13' ' ' CYS . 61.1 tp -150.78 144.77 25.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.657 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -143.42 -45.49 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.01 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . 0.415 ' HB2' ' HB2' ' B' ' 12' ' ' ASP . 10.1 m-20 -62.95 170.84 2.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.995 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.98 -45.58 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -74.0 -25.59 59.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.415 ' HB2' ' HB2' ' B' ' 9' ' ' ASP . 7.2 m-20 -78.83 -2.48 39.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.497 ' SG ' HD21 ' B' ' 7' ' ' LEU . 75.3 m -74.28 -87.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.522 ' O ' ' N ' ' B' ' 16' ' ' LEU . 50.6 m 64.47 165.04 0.12 Allowed Pre-proline 0 C--N 1.333 -0.134 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 51.7 Cg_exo -53.1 78.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.393 2.062 . . . . 0.0 112.148 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' B' ' 14' ' ' SER . 54.4 tp -74.63 129.36 37.59 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.221 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -83.22 108.75 16.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.851 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.531 ' HB3' HG21 ' B' ' 78' ' ' VAL . 10.9 mp -99.8 -175.51 2.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.5 m -159.89 149.92 18.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.63 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.707 HE21 ' HA ' ' B' ' 80' ' ' ALA . 91.1 mt-30 -55.79 104.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 134.91 5.89 2.36 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.481 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -110.6 132.03 54.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.835 0.35 . . . . 0.0 110.72 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -109.9 171.03 7.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.091 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.47 HD23 ' N ' ' B' ' 25' ' ' VAL . 8.0 tt -161.61 144.23 12.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.989 0.423 . . . . 0.0 111.599 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.47 ' N ' HD23 ' B' ' 24' ' ' LEU . 93.9 t -136.52 108.1 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.46 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.505 HD23 HD21 ' B' ' 28' ' ' LEU . 37.6 tp -78.31 146.65 34.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.363 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.6 m -106.05 109.44 21.38 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.942 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.678 ' N ' ' HD2' ' B' ' 29' ' ' PRO . 3.1 mm? -106.65 -19.38 0.17 Allowed Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.678 ' HD2' ' N ' ' B' ' 28' ' ' LEU . 42.7 Cg_exo -32.05 104.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 122.475 2.117 . . . . 0.0 113.127 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.412 ' HB2' ' HE1' ' B' ' 38' ' ' TRP . 22.8 t -113.68 -74.48 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.886 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . 0.524 HD22 HG21 ' B' ' 34' ' ' THR . 2.1 p-10 -168.96 87.67 0.63 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . 0.454 ' O ' HG23 ' B' ' 34' ' ' THR . 23.6 Cg_exo -64.24 -172.68 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.597 2.198 . . . . 0.0 112.34 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 37.8 p 53.94 21.3 2.77 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.652 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.524 HG21 HD22 ' B' ' 31' ' ' ASN . 61.1 p -115.86 -61.82 1.68 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.929 0.395 . . . . 0.0 111.066 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.05 -37.3 1.34 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.395 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -87.43 105.2 17.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.952 0.406 . . . . 0.0 111.16 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -115.09 -167.53 1.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.921 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.412 ' HE1' ' HB2' ' B' ' 30' ' ' SER . 92.6 m95 -110.06 101.5 10.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.997 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -81.66 135.9 35.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.647 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 tt -87.6 111.23 21.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.893 0.378 . . . . 0.0 110.77 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -79.5 -62.04 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.146 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.428 ' HB3' ' HB2' ' B' ' 87' ' ' GLU . 57.4 t30 -125.58 102.53 29.27 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.995 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -80.21 4.06 7.12 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.554 2.169 . . . . 0.0 112.854 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.459 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 54.64 27.37 8.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.59 -11.85 2.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.564 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.7 t -61.22 -30.11 70.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.291 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 26.4 m -131.91 -15.36 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.681 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.459 HD12 ' HB3' ' B' ' 44' ' ' ALA . 78.8 mt -106.84 142.53 36.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 0.0 111.319 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.403 ' CG ' ' H ' ' B' ' 50' ' ' ARG . 0.3 OUTLIER -125.35 -150.45 0.45 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.167 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.403 ' H ' ' CG ' ' B' ' 49' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.941 0.401 . . . . 0.0 111.02 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . 0.44 ' HG2' ' HB3' ' B' ' 29' ' ' PRO . 2.3 mp0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.905 0.383 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . 0.414 ' HB2' ' HB2' ' B' ' 28' ' ' LEU . 70.0 m -128.49 131.74 48.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.59 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 62.5 m -138.8 136.91 36.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.283 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -129.04 127.29 41.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.829 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -123.69 140.63 52.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.772 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.407 ' HE1' HD22 ' B' ' 24' ' ' LEU . 0.0 OUTLIER -150.8 171.81 16.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.95 0.405 . . . . 0.0 110.942 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' B' ' 78' ' ' VAL . 3.4 tmm_? -154.87 135.96 13.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.349 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' B' ' 18' ' ' LEU . 46.6 t -55.95 111.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.245 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.69 -23.03 12.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.414 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.707 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -160.88 155.82 24.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.168 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.531 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 55.4 p -64.13 -175.57 0.16 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.019 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.62 159.91 11.28 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.606 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -105.87 126.13 51.81 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.724 0.297 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -144.79 -171.4 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . 0.423 ' HG3' ' HA ' ' B' ' 107' ' ' ALA . 79.3 ttt180 -162.19 126.31 3.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.952 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.585 ' HG ' HD12 ' B' ' 108' ' ' ILE . 14.0 mt -72.62 143.03 48.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 110.875 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.428 ' HB2' ' HB3' ' B' ' 42' ' ' ASN . 69.1 mm-40 -139.0 111.42 7.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.3 mp -127.48 122.18 32.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 110.737 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.453 HG22 ' N ' ' B' ' 90' ' ' TYR . 11.3 p -104.86 160.37 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.175 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' TYR . . . . . 0.453 ' N ' HG22 ' B' ' 89' ' ' VAL . 58.5 t80 -108.68 104.53 13.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.084 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.544 ' HD3' ' HB3' ' B' ' 100' ' ' PRO . 38.1 ptt180 -175.69 159.55 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.665 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.537 ' HB3' ' NE1' ' B' ' 94' ' ' TRP . 91.3 mtt180 -51.78 108.87 1.17 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.085 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -79.15 35.4 0.56 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.784 2.323 . . . . 0.0 114.603 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' TRP . . . . . 0.537 ' NE1' ' HB3' ' B' ' 92' ' ' ARG . 25.9 p-90 -131.55 -11.41 3.52 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . 0.475 ' HG2' ' CZ3' ' B' ' 94' ' ' TRP . 32.5 mt-10 -72.13 -173.05 0.98 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.094 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -110.02 -41.11 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.502 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -172.66 93.31 0.12 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.654 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -126.56 165.82 18.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.108 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -81.11 116.85 65.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . 0.544 ' HB3' ' HD3' ' B' ' 91' ' ' ARG . 94.7 Cg_endo -78.39 170.25 18.76 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.66 2.24 . . . . 0.0 112.497 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.45 -54.79 2.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.963 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -107.12 -176.53 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.087 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 37.1 m -161.78 172.76 15.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.754 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -165.67 145.65 6.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.691 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 93.0 p -170.43 137.87 1.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.103 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 96.9 m -145.65 136.56 24.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.035 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.423 ' HA ' ' HG3' ' B' ' 85' ' ' ARG . . . -73.03 139.33 46.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.269 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . 0.585 HD12 ' HG ' ' B' ' 86' ' ' LEU . 83.0 mt -142.94 112.82 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -133.08 124.82 28.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.586 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.531 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 43.6 t -66.01 -85.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.144 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.829 179.882 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.483 ' O ' HG13 ' B' ' 5' ' ' VAL . 7.7 p . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 121.267 0.556 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.551 HG23 HG23 ' B' ' 25' ' ' VAL . 1.9 m -66.07 162.04 20.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.095 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.615 ' HB2' HD11 ' B' ' 24' ' ' LEU . 63.8 tp -134.96 146.46 49.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.973 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -157.38 11.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.757 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -125.26 -175.28 3.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.702 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.73 6.68 9.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -122.82 -28.57 4.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -84.23 13.31 5.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.461 ' HB3' ' HB3' ' B' ' 106' ' ' CYS . 10.9 m -76.68 0.53 20.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.044 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.553 ' O ' ' HA ' ' B' ' 108' ' ' ILE . 50.6 m 65.62 68.33 0.69 Allowed Pre-proline 0 N--CA 1.453 -0.305 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . 0.464 ' HA ' ' C ' ' B' ' 107' ' ' ALA . 50.2 Cg_endo -69.48 32.44 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.059 2.506 . . . . 0.0 112.805 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.59 ' HA ' ' HB2' ' B' ' 109' ' ' GLN . 2.8 pp -174.38 -154.02 0.05 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.509 ' HA ' ' O ' ' B' ' 109' ' ' GLN . 11.4 mtpp -33.43 104.75 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.805 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.484 ' HB3' HG22 ' B' ' 110' ' ' VAL . 13.6 tp -104.07 176.86 5.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.783 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.414 ' H ' ' HG ' ' B' ' 18' ' ' LEU . 71.8 p -119.6 112.98 20.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.943 0.401 . . . . 0.0 111.643 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.455 ' HA ' ' HB ' ' B' ' 78' ' ' VAL . 59.6 mt-30 -58.13 124.26 18.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.555 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.73 -13.94 9.22 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.217 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -83.69 132.84 34.84 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.345 0.593 . . . . 0.0 110.753 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -98.31 169.29 9.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.204 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' B' ' 7' ' ' LEU . 8.3 tt -158.82 152.42 23.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.114 0.483 . . . . 0.0 111.851 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.551 HG23 HG23 ' B' ' 6' ' ' THR . 3.2 m -143.42 145.49 22.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.647 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 60.0 tp -141.4 137.81 32.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.933 0.397 . . . . 0.0 111.011 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 86.6 m -132.36 126.89 34.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.991 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 85.6 mt -134.85 149.68 71.26 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.734 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -73.06 145.93 40.47 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.505 2.137 . . . . 0.0 112.139 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 85.2 p -154.39 -24.35 0.13 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 61.58 103.32 0.03 OUTLIER Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.704 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . 0.412 ' HA ' ' NH2' ' B' ' 37' ' ' ARG . 52.1 Cg_exo -53.06 145.06 43.77 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.436 2.091 . . . . 0.0 112.514 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 33.8 m 56.98 81.29 0.14 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.387 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 26.1 p -147.11 -61.22 0.28 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.129 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.12 -46.76 0.63 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.159 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' B' ' 91' ' ' ARG . 6.6 m-85 -94.89 106.82 18.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.439 ' HB2' ' HD3' ' B' ' 93' ' ' PRO . 23.5 mmt180 -104.93 -158.32 0.66 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.928 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.434 ' CZ3' ' HB2' ' B' ' 90' ' ' TYR . 86.1 m95 -122.41 109.83 14.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.445 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -92.13 122.88 35.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.071 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.21 100.01 12.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.437 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' B' ' 41' ' ' ARG . 4.3 mmp_? -69.94 -63.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.211 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.569 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 50.4 t-20 -111.98 97.22 37.39 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.023 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -78.46 -0.48 10.75 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.507 2.138 . . . . 0.0 112.444 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.03 22.33 5.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.1 -8.9 3.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.223 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.0 t -69.3 -29.74 67.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.477 HG23 ' HG ' ' B' ' 48' ' ' LEU . 35.1 m -130.85 -43.53 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.526 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.515 HD22 HG22 ' B' ' 78' ' ' VAL . 18.2 mt -84.86 114.8 22.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.579 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -73.99 137.03 43.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.277 -179.616 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.872 0.367 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 80.5 p -73.11 125.42 27.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.715 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 56.7 m -128.31 142.15 51.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 16.6 m-90 -125.76 154.24 42.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.785 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -150.16 131.74 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.472 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -138.54 164.91 28.23 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.114 0.483 . . . . 0.0 111.722 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -147.54 128.2 14.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.325 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.515 HG22 HD22 ' B' ' 48' ' ' LEU . 6.5 t -78.74 120.34 29.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.481 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.56 -43.61 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.45 177.82 7.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.096 0.475 . . . . 0.0 111.76 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.715 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 10.3 p -82.76 -168.88 2.21 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.006 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 117.4 154.94 10.04 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.363 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.94 120.65 30.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -139.43 172.29 13.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -160.06 104.5 1.51 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.414 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.456 ' HG ' HD11 ' B' ' 88' ' ' LEU . 8.1 tp -61.12 136.72 58.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.684 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.569 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 16.6 mt-10 -136.57 120.46 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.203 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.456 HD11 ' HG ' ' B' ' 86' ' ' LEU . 4.5 mp -135.78 151.92 50.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.659 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 23.7 m -143.55 166.45 13.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.098 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' TYR . . . . . 0.606 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 56.6 t80 -117.36 102.48 9.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.426 ' HA ' ' CD2' ' B' ' 36' ' ' PHE . 38.1 ptt180 -166.57 177.98 6.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.726 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.493 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 72.3 mtt180 -53.85 121.55 29.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.407 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' PRO . . . . . 0.439 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 73.5 Cg_endo -72.78 5.94 2.68 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.65 2.233 . . . . 0.0 113.588 -178.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' TRP . . . . . 0.493 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 18.5 p90 -114.19 12.97 17.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.917 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -110.14 155.73 21.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.026 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -94.96 -53.92 3.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.567 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -140.0 101.14 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.421 ' H ' ' NH1' ' B' ' 91' ' ' ARG . . . -133.11 -170.86 2.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -104.03 97.26 10.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.37 136.77 27.02 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.414 2.076 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.0 -44.74 95.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.046 0.451 . . . . 0.0 110.986 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.606 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 17.9 mt-10 -109.24 -173.04 2.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.595 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.0 p -173.14 154.07 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.717 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -155.51 110.34 2.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 91.9 p -120.59 148.55 43.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' CYS . . . . . 0.461 ' HB3' ' HB3' ' B' ' 13' ' ' CYS . 53.3 m -151.81 133.08 14.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.124 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.514 ' O ' HG13 ' B' ' 108' ' ' ILE . . . -98.73 151.44 20.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . 0.553 ' HA ' ' O ' ' B' ' 14' ' ' SER . 96.3 mt -157.86 111.68 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.494 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . 0.59 ' HB2' ' HA ' ' B' ' 16' ' ' LEU . 21.9 mt-30 -112.96 103.8 11.77 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.715 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 3.3 t -90.49 148.36 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.082 0.467 . . . . 0.0 111.486 -179.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.6 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 25.0 tpt180 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.816 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' B' ' 24' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.54 171.01 8.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.056 0.455 . . . . 0.0 112.15 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.405 ' HB2' HD13 ' B' ' 26' ' ' LEU . 74.5 mt -147.78 -177.23 5.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.635 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -178.3 -24.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.034 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -120.92 126.89 51.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.55 -36.9 83.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.21 -32.24 73.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.779 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -76.92 -9.16 58.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 91.1 m -84.46 139.14 32.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.024 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.57 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 13.5 m -156.09 164.1 22.54 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.055 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . 0.57 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 15.7 Cg_endo -58.07 80.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.113 1.875 . . . . 0.0 111.44 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' B' ' 14' ' ' SER . 57.3 tp -81.3 142.21 33.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.966 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' B' ' 109' ' ' GLN . 23.5 mtpp -83.55 99.35 10.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.342 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.427 HD12 HG21 ' B' ' 78' ' ' VAL . 0.5 OUTLIER -86.51 -169.02 2.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.602 -179.303 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.45 HG23 ' HE ' ' B' ' 111' ' ' ARG . 0.2 OUTLIER -168.29 139.04 2.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.682 -179.847 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' B' ' 80' ' ' ALA . 71.4 mt-30 -56.24 118.07 4.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.778 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.426 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 136.27 -17.41 3.8 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.198 -179.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.491 ' O ' ' HD2' ' B' ' 77' ' ' ARG . 19.0 mt-30 -96.29 165.73 12.07 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 120.944 0.402 . . . . 0.0 110.104 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -122.55 -175.51 3.16 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.181 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 4.1 tt -162.8 99.84 1.0 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.651 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.585 HG13 ' HG2' ' B' ' 75' ' ' ARG . 95.7 t -113.93 98.02 6.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.532 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.405 HD13 ' HB2' ' B' ' 7' ' ' LEU . 14.1 tp -90.49 159.3 16.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.04 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.418 ' C ' HD22 ' B' ' 28' ' ' LEU . 82.1 m -153.16 118.47 5.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.422 HD22 ' N ' ' B' ' 28' ' ' LEU . 3.7 mm? -115.04 150.22 43.86 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -83.17 118.56 2.66 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.639 2.226 . . . . 0.0 112.257 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.413 ' HB3' ' HE1' ' B' ' 38' ' ' TRP . 80.1 p -153.09 117.03 4.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.955 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . 0.429 ' HB2' HG23 ' B' ' 34' ' ' THR . 2.4 m-20 -70.5 130.45 89.06 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.677 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -77.15 9.28 2.84 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.773 2.316 . . . . 0.0 112.61 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 75.8 p -113.59 10.19 18.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.251 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.429 HG23 ' HB2' ' B' ' 31' ' ' ASN . 41.7 p -96.8 -72.65 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.329 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.64 -27.05 2.23 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.908 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . 0.42 ' HE1' ' HE ' ' B' ' 92' ' ' ARG . 5.8 m-85 -93.42 101.45 13.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.108 0.48 . . . . 0.0 110.999 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.407 ' HB2' ' HD3' ' B' ' 93' ' ' PRO . 6.9 mpt_? -94.76 -155.5 0.47 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.703 179.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.413 ' HE1' ' HB3' ' B' ' 30' ' ' SER . 93.3 m95 -124.49 125.34 44.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -104.59 160.94 14.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.262 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.573 HD23 ' HG ' ' B' ' 88' ' ' LEU . 20.0 mt -113.21 109.65 19.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.207 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.502 HH11 HH22 ' B' ' 91' ' ' ARG . 21.9 mmm180 -85.33 -13.65 48.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.074 0.464 . . . . 0.0 110.198 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.585 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 53.3 t-20 -163.47 88.27 1.23 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.23 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -73.14 6.09 2.75 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.582 2.188 . . . . 0.0 112.814 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.408 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 57.53 27.69 14.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.981 0.419 . . . . 0.0 110.989 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.72 -4.09 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.397 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 53.0 m -76.79 -33.27 58.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.181 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 18.7 m -130.46 -40.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.761 0.315 . . . . 0.0 111.517 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.408 HD12 ' HB3' ' B' ' 44' ' ' ALA . 38.3 mt -77.13 155.96 31.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.06 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.411 ' CG ' ' H ' ' B' ' 50' ' ' ARG . 0.3 OUTLIER -133.87 -161.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.453 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.574 ' HB2' ' HB3' ' B' ' 77' ' ' ARG . 6.5 tpm_? . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 121.054 0.455 . . . . 0.0 110.601 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.754 0.311 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 54.3 m -63.77 151.32 42.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 61.4 m -136.48 130.4 32.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.167 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.418 ' O ' ' HA ' ' B' ' 25' ' ' VAL . 73.4 m95 -127.33 129.51 47.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.621 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.585 ' HG2' HG13 ' B' ' 25' ' ' VAL . 96.4 mtt180 -135.85 132.98 37.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.529 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 6.2 m-85 -147.11 168.18 22.26 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.513 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.574 ' HB3' ' HB2' ' B' ' 50' ' ' ARG . 9.4 tpt180 -145.98 133.41 20.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.471 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.427 HG21 HD12 ' B' ' 18' ' ' LEU . 24.5 t -68.51 110.36 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.887 0.375 . . . . 0.0 110.736 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.34 -47.91 4.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.579 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.419 ' HA ' ' NE2' ' B' ' 20' ' ' GLN . . . -133.58 157.9 44.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.192 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.622 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 51.8 p -71.25 -170.74 0.51 Allowed 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.38 163.81 12.27 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.586 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . 0.516 ' HB3' HE21 ' B' ' 109' ' ' GLN . 3.2 p-10 -98.93 110.03 22.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 110.94 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -123.65 -176.79 3.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.723 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -159.82 113.23 2.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.725 HD12 HD11 ' B' ' 88' ' ' LEU . 0.5 OUTLIER -66.76 137.13 56.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.647 179.714 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.585 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 27.6 mt-10 -135.55 120.8 19.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.986 0.422 . . . . 0.0 111.214 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.725 HD11 HD12 ' B' ' 86' ' ' LEU . 4.2 mp -133.98 152.28 51.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.314 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' B' ' 103' ' ' SER . 19.1 m -140.87 163.15 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 111.124 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -106.81 101.98 11.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.184 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.502 HH22 HH11 ' B' ' 41' ' ' ARG . 39.3 ptt180 -164.84 172.12 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.649 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.513 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 72.6 mtt180 -58.82 138.85 86.88 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.438 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' PRO . . . . . 0.407 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 89.6 Cg_endo -79.23 -15.12 12.93 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.546 2.164 . . . . 0.0 113.277 -178.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' TRP . . . . . 0.513 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 6.4 p90 -94.2 9.42 38.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.671 0.272 . . . . 0.0 111.307 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -112.27 116.29 30.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.948 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -69.72 -38.65 76.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -140.42 101.87 4.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.793 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.63 135.26 16.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.41 110.33 2.28 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.797 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . 0.408 ' HB3' ' HD3' ' B' ' 91' ' ' ARG . 78.1 Cg_endo -78.32 152.56 27.1 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.338 2.025 . . . . 0.0 112.37 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.64 -69.38 0.52 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.681 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -90.6 -165.25 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.012 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' B' ' 89' ' ' VAL . 43.3 t -171.23 165.95 7.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.961 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -168.93 106.47 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 79.7 p -129.25 141.99 50.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.847 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 85.9 m -134.88 153.61 51.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.274 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.97 141.32 31.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . 0.552 HD12 HD23 ' B' ' 86' ' ' LEU . 96.0 mt -144.95 121.51 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.077 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . 0.516 HE21 ' HB3' ' B' ' 83' ' ' ASP . 54.0 mt-30 -135.62 106.98 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.728 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.622 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 21.4 t -65.46 -79.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.127 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.51 ' HG2' HG12 ' B' ' 110' ' ' VAL . 37.3 mmt180 . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.146 -0.93 . . . . 0.0 111.066 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.529 HG23 HD12 ' B' ' 24' ' ' LEU . 3.2 m . . . . . 0 C--O 1.232 0.156 0 N-CA-C 110.21 -0.292 . . . . 0.0 110.21 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.41 151.1 39.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.814 0.34 . . . . 0.0 111.662 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.48 HD21 ' SG ' ' B' ' 13' ' ' CYS . 68.2 tp -141.65 154.32 45.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.71 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -163.1 15.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . 0.429 ' HB2' ' HB2' ' B' ' 12' ' ' ASP . 10.0 m-20 -132.42 -177.95 4.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.75 -43.91 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -84.51 -27.12 27.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.429 ' HB2' ' HB2' ' B' ' 9' ' ' ASP . 10.0 m-20 -81.08 10.65 4.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.029 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.48 ' SG ' HD21 ' B' ' 7' ' ' LEU . 99.3 m -77.39 -80.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.486 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.666 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 40.2 m 67.54 169.12 0.11 Allowed Pre-proline 0 N--CA 1.461 0.079 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . 0.666 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 7.4 Cg_endo -48.49 81.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.03 1.82 . . . . 0.0 111.769 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.659 ' HB2' HG12 ' B' ' 108' ' ' ILE . 11.0 mt -55.11 -168.09 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.368 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.59 ' HD3' HG23 ' B' ' 108' ' ' ILE . 5.3 mptp? 53.6 -154.94 0.23 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.436 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.469 ' H ' ' HB3' ' B' ' 17' ' ' LYS . 17.0 tp 174.39 -51.67 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.484 0.659 . . . . 0.0 110.83 -178.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.539 ' HA ' ' H ' ' B' ' 111' ' ' ARG . 49.0 m -153.49 145.49 23.66 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.684 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -51.02 148.25 4.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.455 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 108.39 11.73 22.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.344 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -119.32 162.95 17.9 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -138.61 -171.59 3.1 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.424 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.529 HD12 HG23 ' B' ' 5' ' ' VAL . 0.8 OUTLIER -158.39 145.59 17.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.535 179.684 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.605 HG22 ' HG2' ' B' ' 75' ' ' ARG . 48.5 t -139.93 100.49 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.165 179.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.2 tp -103.57 146.56 28.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.339 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 58.7 m -142.54 108.04 5.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.7 mt -119.44 156.38 53.23 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.027 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -80.21 149.44 19.58 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.547 2.165 . . . . 0.0 112.289 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.9 p -154.49 -32.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 60.16 101.81 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.75 -9.87 12.76 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.48 2.12 . . . . 0.0 112.341 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 48.2 m -73.3 -29.07 62.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.269 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 45.3 p -74.03 -72.75 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.362 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.85 -23.9 2.75 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.958 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -87.19 97.84 10.99 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.408 0.623 . . . . 0.0 111.041 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -88.55 -155.85 0.35 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.306 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -126.06 119.4 27.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.775 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -96.71 150.49 20.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.599 HD23 ' HG ' ' B' ' 88' ' ' LEU . 68.8 mt -101.89 103.29 13.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.298 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.512 ' HD3' HH21 ' B' ' 91' ' ' ARG . 29.9 mmm180 -81.68 -14.81 56.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.223 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.566 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 56.3 t-20 -166.75 86.87 0.84 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.487 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.0 18.49 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.478 2.118 . . . . 0.0 112.627 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.15 26.17 9.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.25 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.27 -9.36 4.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.183 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 51.0 m -68.62 -33.67 74.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' B' ' 80' ' ' ALA . 30.4 m -129.17 -45.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.579 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.592 HD22 HG22 ' B' ' 78' ' ' VAL . 13.4 mt -81.85 134.58 35.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.984 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -91.08 138.44 31.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.68 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.929 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.8 0.333 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 46.0 t -70.38 149.82 46.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 89.0 m -141.17 131.11 24.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.97 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.466 ' O ' ' HA ' ' B' ' 25' ' ' VAL . 11.2 m-90 -123.19 133.27 54.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.333 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.605 ' HG2' HG22 ' B' ' 25' ' ' VAL . 87.5 mtt180 -129.79 123.35 30.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.546 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -133.41 150.12 51.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.039 0.447 . . . . 0.0 111.61 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.455 ' NH2' ' HA2' ' B' ' 21' ' ' GLY . 12.7 tpt180 -127.25 153.65 45.85 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.329 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.592 HG22 HD22 ' B' ' 48' ' ' LEU . 11.3 t -105.92 115.17 47.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.814 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -128.2 -12.38 5.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.585 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' B' ' 47' ' ' VAL . . . -124.15 156.34 36.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.372 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.674 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 10.7 p -94.0 179.4 5.34 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.497 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.54 170.25 29.08 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.351 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.08 162.11 14.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.999 0.428 . . . . 0.0 110.971 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.465 ' OD1' ' HB ' ' B' ' 108' ' ' ILE . 8.5 p-10 -166.62 -176.41 3.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.052 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -157.88 116.98 3.21 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.752 0.311 . . . . 0.0 111.157 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.439 HD12 ' O ' ' B' ' 42' ' ' ASN . 12.7 tp -73.66 132.6 42.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.34 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.566 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 23.5 mt-10 -127.25 127.39 44.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 0.0 111.538 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.599 ' HG ' HD23 ' B' ' 40' ' ' LEU . 5.2 mp -136.17 156.67 48.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.438 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 34.1 m -141.44 157.82 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 111.224 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -104.74 93.37 4.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.532 ' HD3' ' HG3' ' B' ' 100' ' ' PRO . 37.8 ptt180 -163.7 -175.13 3.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.087 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.464 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 65.3 mtt180 -81.34 122.8 81.47 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 21.5 Cg_exo -66.28 -13.23 38.98 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.936 2.424 . . . . 0.0 113.602 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' TRP . . . . . 0.464 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 39.3 p90 -100.09 21.75 12.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.349 . . . . 0.0 111.123 -179.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . 0.417 ' HB3' ' HB2' ' B' ' 98' ' ' ALA . 10.9 mm-40 -122.22 109.99 15.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.02 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -65.56 103.26 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 55.46 79.92 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.1 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.417 ' HB2' ' HB3' ' B' ' 95' ' ' GLU . . . -120.95 136.82 54.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.754 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.415 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 12.2 mm-40 -49.13 106.03 0.58 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.203 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . 0.532 ' HG3' ' HD3' ' B' ' 91' ' ' ARG . 2.2 Cg_endo -84.23 143.31 10.07 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.983 2.455 . . . . 0.0 112.21 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.16 -61.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.779 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.25 -163.25 1.02 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.36 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.7 p -174.66 158.16 2.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.049 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.51 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 46.6 t80 -147.84 145.5 28.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.812 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 45.6 t -165.18 131.85 2.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' CYS . . . . . 0.431 ' HB3' ' HB3' ' B' ' 13' ' ' CYS . 90.8 m -149.62 147.06 27.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.68 156.95 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.747 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . 0.659 HG12 ' HB2' ' B' ' 16' ' ' LEU . 97.0 mt -145.34 141.23 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.425 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -139.6 139.04 36.67 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.674 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 5.2 t -112.3 160.62 11.63 Favored 'Isoleucine or valine' 0 C--N 1.337 0.065 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.542 178.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.539 ' H ' ' HA ' ' B' ' 19' ' ' THR . 27.7 mmt180 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.659 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 121.061 0.457 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.0 m -59.3 162.44 4.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.465 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.522 HD23 ' N ' ' B' ' 8' ' ' ASP . 8.3 tt -142.92 137.66 29.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.556 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.522 ' N ' HD23 ' B' ' 7' ' ' LEU . 18.5 t70 -137.52 -12.53 1.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . 0.464 ' HB2' ' HB2' ' B' ' 12' ' ' ASP . 10.0 m-20 -136.87 154.12 50.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.54 -42.94 86.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.63 -16.49 61.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.708 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.464 ' HB2' ' HB2' ' B' ' 9' ' ' ASP . 21.0 t70 -67.23 -7.09 21.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.3 173.9 7.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.451 ' HA ' ' HD2' ' B' ' 15' ' ' PRO . 74.3 m -102.04 102.57 24.65 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' B' ' 14' ' ' SER . 2.8 Cg_endo -44.96 87.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.76 2.307 . . . . 0.0 113.043 -178.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.705 ' HB3' ' HB3' ' B' ' 109' ' ' GLN . 2.3 mm? 63.39 -91.15 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.881 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 16' ' ' LEU . 41.6 mttp -26.52 101.24 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.359 -1.291 . . . . 0.0 112.19 -179.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.671 HD22 HG23 ' B' ' 108' ' ' ILE . 7.6 tp -132.13 -163.76 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.497 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.459 ' H ' ' HG ' ' B' ' 18' ' ' LEU . 19.6 m -158.68 150.9 21.49 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.942 0.401 . . . . 0.0 110.685 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.527 ' HG2' HG12 ' B' ' 78' ' ' VAL . 57.2 mt-30 -78.49 137.18 37.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.846 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.504 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 112.51 29.49 3.15 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.831 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -145.07 149.47 35.12 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.975 0.417 . . . . 0.0 110.609 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.541 ' HG2' ' HD3' ' B' ' 77' ' ' ARG . 30.2 mt-10 -121.76 175.17 6.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.461 HD11 ' HB2' ' B' ' 7' ' ' LEU . 9.1 tt -154.6 151.18 28.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.145 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 54.8 t -135.05 104.73 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.835 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.495 HD23 ' HB3' ' B' ' 7' ' ' LEU . 89.4 mt -70.62 136.98 49.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 56.0 m -127.12 93.28 3.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.07 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 mp -119.21 151.32 50.73 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.961 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -79.13 140.11 15.49 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.595 2.197 . . . . 0.0 112.35 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.3 p -161.79 170.08 20.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.075 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -144.05 96.64 5.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.797 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.4 -5.12 7.73 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.615 2.21 . . . . 0.0 112.396 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -91.19 1.9 56.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.398 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.0 p -105.04 -65.04 1.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.36 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.59 -35.4 0.81 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.765 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -87.01 105.61 17.27 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.324 0.583 . . . . 0.0 110.946 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.437 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 14.8 mmm180 -106.01 -158.25 0.65 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.592 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.437 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 94.3 m95 -118.29 112.16 19.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -93.91 155.11 17.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.204 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.537 HD23 ' HG ' ' B' ' 88' ' ' LEU . 16.1 mt -104.1 116.35 32.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.242 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.539 ' HB2' ' HB3' ' B' ' 87' ' ' GLU . 4.2 mmp_? -93.16 -17.41 23.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.27 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.53 ' HB3' ' HB2' ' B' ' 87' ' ' GLU . 63.4 t30 -175.03 88.17 0.31 Allowed Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.722 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.47 ' HB3' HD13 ' B' ' 40' ' ' LEU . 76.2 Cg_endo -76.89 20.33 0.63 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.561 2.174 . . . . 0.0 112.545 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 58.13 27.69 15.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.86 -7.1 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.516 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -74.62 -28.76 61.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.036 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.449 HG23 ' N ' ' B' ' 48' ' ' LEU . 21.4 m -136.58 -45.74 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.466 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.75 HD11 HG21 ' B' ' 108' ' ' ILE . 18.3 mt -80.77 119.7 23.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.554 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.46 ' NZ ' ' HB3' ' B' ' 49' ' ' LYS . 5.5 ttpm? -84.72 138.07 32.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.775 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.859 0.362 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . 0.403 ' HG ' ' HD1' ' B' ' 38' ' ' TRP . 52.3 m -94.36 141.85 28.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 63.4 m -140.46 113.72 8.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -113.84 116.08 28.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.81 135.33 46.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -139.47 158.22 44.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.242 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.541 ' HD3' ' HG2' ' B' ' 23' ' ' GLU . 7.2 tpt180 -146.8 137.55 23.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.479 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.599 HG22 HD22 ' B' ' 48' ' ' LEU . 17.6 t -85.21 121.99 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.727 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.63 -44.79 4.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.767 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.75 179.92 5.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.022 0.439 . . . . 0.0 111.447 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.79 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 6.3 p -81.73 -167.86 1.68 Allowed 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.835 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.3 155.75 13.66 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.471 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -91.67 143.86 26.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.934 0.397 . . . . 0.0 111.106 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.449 ' OD2' ' HB ' ' B' ' 108' ' ' ILE . 2.5 p-10 -159.19 177.13 11.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.816 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -156.7 102.65 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.517 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.44 ' HB3' ' HB3' ' B' ' 106' ' ' CYS . 10.9 tp -53.23 146.05 12.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.531 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.539 ' HB3' ' HB2' ' B' ' 41' ' ' ARG . 4.4 mm-40 -143.87 116.98 8.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.924 0.393 . . . . 0.0 111.718 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.537 ' HG ' HD23 ' B' ' 40' ' ' LEU . 5.8 mp -131.15 146.53 52.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.14 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.513 HG21 ' HE ' ' B' ' 91' ' ' ARG . 14.9 m -138.8 163.75 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.742 0.306 . . . . 0.0 111.155 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' TYR . . . . . 0.492 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 44.9 t80 -110.93 96.82 6.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.211 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.513 ' HE ' HG21 ' B' ' 89' ' ' VAL . 27.3 ptt180 -166.98 167.16 14.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.709 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.526 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 89.7 mtt180 -60.04 119.72 44.23 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.512 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.34 -28.7 85.68 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.789 2.326 . . . . 0.0 113.55 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' TRP . . . . . 0.526 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 13.3 p90 -79.86 14.62 1.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.67 0.271 . . . . 0.0 111.581 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . 0.501 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 41.9 mt-10 -112.76 123.27 49.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.778 0.323 . . . . 0.0 110.774 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' B' ' 96' ' ' LYS . 13.0 mptt -67.55 -51.35 51.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.794 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -141.66 105.25 4.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.491 ' H ' ' NH1' ' B' ' 91' ' ' ARG . . . -148.5 129.27 14.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.793 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.453 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 36.7 mt-10 -54.46 117.8 14.49 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.064 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . 0.492 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 9.4 Cg_endo -87.9 165.82 7.28 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 123.214 2.609 . . . . 0.0 112.263 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.87 -30.57 21.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.025 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.492 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 27.9 mt-10 -125.55 -172.3 2.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.091 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 79.8 p -173.14 162.17 4.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.726 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.493 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 59.1 t80 -156.31 150.21 25.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.399 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 86.7 p -159.93 123.23 3.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.323 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' CYS . . . . . 0.44 ' HB3' ' HB3' ' B' ' 86' ' ' LEU . 53.2 t -113.64 131.29 56.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.521 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.56 118.05 21.81 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.93 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . 0.75 HG21 HD11 ' B' ' 48' ' ' LEU . 20.0 mt -140.41 115.69 7.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . 0.705 ' HB3' ' HB3' ' B' ' 16' ' ' LEU . 53.2 tt0 -135.41 112.99 10.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.25 178.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.79 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 3.4 t -95.17 162.78 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.236 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.547 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 24.3 tpt180 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.352 -0.832 . . . . 0.0 110.748 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.462 HG22 ' HB2' ' B' ' 23' ' ' GLU . 54.5 t . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 121.429 0.633 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.86 145.35 32.26 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.679 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.559 HD23 HD21 ' B' ' 26' ' ' LEU . 44.2 tp -167.26 152.94 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.094 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -162.26 14.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -139.47 159.53 41.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.831 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.55 -34.9 9.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.386 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.94 -27.21 68.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.134 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -83.19 10.79 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 77.6 m -96.23 134.91 38.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.02 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 4.1 p -164.51 161.02 15.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.699 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.8 75.48 0.31 Allowed 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.267 1.978 . . . . 0.0 111.602 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.5 HD12 ' H ' ' B' ' 17' ' ' LYS . 56.5 tp -90.32 149.65 22.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.638 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.5 ' H ' HD12 ' B' ' 16' ' ' LEU . 41.4 mttm -83.1 134.94 34.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.378 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.51 ' H ' ' HA ' ' B' ' 110' ' ' VAL . 0.4 OUTLIER -122.64 -165.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.493 -179.355 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.3 m -160.21 147.99 16.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.509 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.624 HE21 ' HA ' ' B' ' 80' ' ' ALA . 96.5 mt-30 -60.47 111.25 1.51 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.839 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 141.94 -7.59 2.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.546 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -105.51 -170.57 1.76 Allowed 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.827 0.346 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.462 ' HB2' HG22 ' B' ' 5' ' ' VAL . 43.3 mt-10 -150.47 -167.3 2.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.508 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.524 HD23 ' N ' ' B' ' 25' ' ' VAL . 5.7 tt -163.53 128.74 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.927 179.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.524 ' N ' HD23 ' B' ' 24' ' ' LEU . 48.0 t -126.5 140.8 47.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.977 0.418 . . . . 0.0 111.4 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.559 HD21 HD23 ' B' ' 7' ' ' LEU . 47.9 mt -126.1 126.07 43.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.846 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.416 ' C ' HD22 ' B' ' 28' ' ' LEU . 63.8 m -129.02 97.68 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.328 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.462 HD22 ' N ' ' B' ' 28' ' ' LEU . 3.1 mm? -117.45 158.23 45.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.628 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.69 142.18 20.17 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.572 2.181 . . . . 0.0 112.233 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -152.83 -51.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.194 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 13.5 m120 61.07 98.4 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.39 -13.06 6.76 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.56 2.173 . . . . 0.0 112.596 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 79.2 p -69.48 -4.53 19.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.281 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 59.1 p -102.81 -69.17 0.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.298 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.88 -36.99 1.29 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.923 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -79.71 100.03 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.116 0.484 . . . . 0.0 110.971 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.436 HH22 ' HA ' ' B' ' 72' ' ' SER . 17.0 mmm180 -92.34 -155.1 0.41 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.864 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.412 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 92.8 m95 -129.62 117.17 19.96 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.94 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -98.22 152.72 19.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.981 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.447 HD23 ' HG ' ' B' ' 88' ' ' LEU . 94.2 mt -95.63 107.12 19.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.274 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -79.29 -18.87 51.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.358 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.58 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 10.3 t30 -173.28 90.38 0.37 Allowed Pre-proline 0 CA--C 1.53 0.205 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.648 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.412 ' HB3' HD13 ' B' ' 40' ' ' LEU . 73.8 Cg_endo -74.0 8.91 1.86 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.585 2.19 . . . . 0.0 112.522 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 52.94 30.87 9.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.64 -8.66 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.364 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 53.5 m -65.96 -30.14 70.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.48 HG23 ' HG ' ' B' ' 48' ' ' LEU . 34.7 m -131.66 -39.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.674 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.547 HD22 HG22 ' B' ' 78' ' ' VAL . 18.8 mt -90.01 123.22 33.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.836 0.35 . . . . 0.0 110.741 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.468 ' NZ ' ' HE ' ' B' ' 77' ' ' ARG . 5.0 ttpm? -75.63 151.93 37.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.034 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . 0.436 ' HA ' HH22 ' B' ' 37' ' ' ARG . 47.7 t -93.45 122.46 35.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 71.0 m -125.88 128.15 47.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -126.5 136.41 52.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.755 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -143.34 124.95 14.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.048 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -137.28 144.24 42.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.919 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.468 ' HE ' ' NZ ' ' B' ' 49' ' ' LYS . 4.1 tmm_? -117.33 129.84 56.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.323 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.547 HG22 HD22 ' B' ' 48' ' ' LEU . 11.0 t -68.82 110.75 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.245 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -116.47 -10.55 11.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.393 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.624 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -144.55 157.78 44.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.059 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.543 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 58.4 m -99.3 168.29 10.12 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 121.12 0.486 . . . . 0.0 110.697 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 136.48 170.96 12.11 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.662 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -93.46 112.47 24.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.958 0.409 . . . . 0.0 110.82 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.424 ' OD2' ' HB ' ' B' ' 108' ' ' ILE . 9.8 p-10 -127.85 -173.29 2.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.001 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -166.89 104.45 0.57 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.091 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.552 ' HG ' HD12 ' B' ' 108' ' ' ILE . 13.1 mt -59.75 141.36 55.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 110.676 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.58 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 25.4 mt-10 -140.07 128.91 23.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.984 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.447 ' HG ' HD23 ' B' ' 40' ' ' LEU . 5.0 mp -136.82 167.29 21.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.33 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.482 HG22 ' N ' ' B' ' 90' ' ' TYR . 7.4 p -150.78 158.38 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.133 0.492 . . . . 0.0 111.426 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' TYR . . . . . 0.543 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 26.9 t80 -103.14 101.02 10.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.925 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.411 ' HD3' ' HB3' ' B' ' 100' ' ' PRO . 38.8 ptt180 -165.53 174.92 9.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.513 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 99.1 mtt180 -78.76 133.3 62.53 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.714 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 16.7 Cg_exo -68.01 -47.22 1.88 Allowed 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.711 2.274 . . . . 0.0 113.11 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' TRP . . . . . 0.513 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 12.7 p90 -57.88 -25.78 61.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.553 -179.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -72.65 104.95 4.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.89 0.376 . . . . 0.0 110.744 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -71.32 100.69 2.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.736 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 57.1 88.66 0.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.822 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.44 156.66 48.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.55 110.99 3.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.006 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . 0.411 ' HB3' ' HD3' ' B' ' 91' ' ' ARG . 90.5 Cg_endo -84.62 -166.4 0.35 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.574 2.183 . . . . 0.0 112.425 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.56 -82.48 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.543 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 0.6 OUTLIER -69.46 -166.2 0.09 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.251 0.548 . . . . 0.0 111.252 179.821 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 79.4 p -175.5 155.0 1.73 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.703 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -151.17 102.88 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 79.3 p -119.44 146.35 45.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.105 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 96.4 m -146.89 136.65 23.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.57 146.57 25.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . 0.552 HD12 ' HG ' ' B' ' 86' ' ' LEU . 88.7 mt -148.48 137.58 15.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.544 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -142.18 157.07 45.28 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.235 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.543 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 0.3 OUTLIER -136.6 -153.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.309 179.756 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.427 ' H ' HG12 ' B' ' 110' ' ' VAL . 31.4 mmt180 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.119 -0.943 . . . . 0.0 111.091 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' B' ' 24' ' ' LEU . 12.5 m . . . . . 0 C--O 1.231 0.097 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -126.51 161.79 27.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.004 0.43 . . . . 0.0 111.607 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 57.8 tp -137.21 148.95 46.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.641 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -171.68 19.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . 0.483 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 11.1 m-20 -102.27 -50.07 3.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' B' ' 9' ' ' ASP . . . 75.43 -46.98 0.59 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.481 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -77.5 -27.05 51.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 110.685 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -80.37 1.45 28.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.656 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 67.3 m -63.98 129.84 41.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.519 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.548 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 16.5 m -159.95 163.35 22.68 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.951 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . 0.548 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 20.3 Cg_endo -61.4 79.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.046 1.831 . . . . 0.0 111.699 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' B' ' 14' ' ' SER . 40.1 tp -80.51 142.93 33.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.652 -179.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -92.65 115.76 28.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.54 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.443 ' H ' ' HA ' ' B' ' 110' ' ' VAL . 10.9 mp -108.98 -168.72 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.048 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.7 m -158.81 145.38 17.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.295 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.46 ' NE2' ' HA ' ' B' ' 80' ' ' ALA . 75.8 mt-30 -52.52 104.2 0.08 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.702 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.507 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 146.29 13.06 0.19 Allowed Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.879 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -129.79 144.19 51.18 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.581 ' HG2' ' HB2' ' B' ' 77' ' ' ARG . 45.2 mt-10 -122.43 -176.59 3.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.943 0.401 . . . . 0.0 111.556 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' B' ' 75' ' ' ARG . 1.4 mt -152.96 146.2 24.76 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.004 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 97.2 t -145.04 92.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.325 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.9 tp -98.09 127.96 44.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.246 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -120.1 140.83 50.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 95.9 mt -142.16 129.33 11.3 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.782 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.72 144.61 94.22 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.493 2.128 . . . . 0.0 112.282 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.407 ' HB3' ' HE1' ' B' ' 38' ' ' TRP . 76.6 p -139.17 175.23 9.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.767 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -132.02 86.0 48.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.814 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -62.27 -7.16 9.62 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.542 2.161 . . . . 0.0 112.42 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 76.3 p -87.12 8.26 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.387 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 69.8 p -115.83 -66.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.388 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.88 -20.27 1.79 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.893 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -88.18 97.3 10.92 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.099 0.476 . . . . 0.0 111.027 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.547 ' HB2' ' HD3' ' B' ' 93' ' ' PRO . 0.6 OUTLIER -88.38 -152.93 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.479 179.477 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.407 ' HE1' ' HB3' ' B' ' 30' ' ' SER . 96.3 m95 -121.0 120.82 36.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -109.15 126.5 53.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.545 ' HG ' ' HG ' ' B' ' 88' ' ' LEU . 1.2 tt -95.48 109.34 21.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.549 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -75.53 -68.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.56 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 51.7 t-20 -102.34 99.3 12.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -79.0 -3.92 13.54 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.505 2.137 . . . . 0.0 112.665 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.434 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 55.68 27.6 10.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.8 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.71 -5.91 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.348 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -68.28 -35.97 78.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 28.3 m -132.83 3.94 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.625 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' B' ' 44' ' ' ALA . 92.4 mt -126.64 124.97 41.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.97 0.414 . . . . 0.0 111.353 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.456 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . 16.7 mmtt -111.68 -163.4 0.85 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.569 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.553 ' HB2' ' HB3' ' B' ' 77' ' ' ARG . 29.0 tpt180 . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 121.047 0.451 . . . . 0.0 111.532 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.857 0.361 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 42.7 t -111.74 170.22 8.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 58.7 m -154.95 138.18 15.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.947 0.403 . . . . 0.0 111.412 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 7.1 m-90 -138.37 112.38 8.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.406 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.471 ' HA ' ' O ' ' B' ' 24' ' ' LEU . 29.7 ptt180 -119.33 139.25 52.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.665 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.493 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -148.26 178.46 8.55 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.691 179.634 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.581 ' HB2' ' HG2' ' B' ' 23' ' ' GLU . 9.3 tpt180 -152.33 141.27 21.14 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.321 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 93.9 t -71.55 95.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.876 0.37 . . . . 0.0 110.737 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.456 ' HB2' ' HB2' ' B' ' 49' ' ' LYS . . . -69.07 -50.06 51.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.239 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.46 ' HA ' ' NE2' ' B' ' 20' ' ' GLN . . . -144.52 -176.94 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.964 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.729 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 58.6 m -73.76 -165.06 0.25 Allowed 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.773 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.22 163.6 26.55 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.483 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -100.43 162.15 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.634 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -168.85 -179.84 3.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.524 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -160.18 104.89 1.5 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.469 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.402 HD12 ' O ' ' B' ' 42' ' ' ASN . 10.2 tp -67.87 125.08 25.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.637 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.56 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 17.2 mt-10 -122.21 116.5 24.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.117 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.545 ' HG ' ' HG ' ' B' ' 40' ' ' LEU . 5.3 mp -121.29 156.21 33.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.66 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 32.8 m -142.7 161.76 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -111.24 102.43 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.77 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.474 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 23.7 ptt180 -159.38 177.08 11.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.791 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.496 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 54.0 mtt180 -63.05 145.08 97.04 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.41 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' PRO . . . . . 0.547 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 78.7 Cg_endo -82.46 -2.75 11.19 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.782 2.321 . . . . 0.0 113.621 -178.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' TRP . . . . . 0.496 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 18.8 p90 -115.98 18.59 15.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.754 0.312 . . . . 0.0 111.43 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -114.72 122.67 47.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -91.11 106.99 18.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.675 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . 0.407 ' H ' HH12 ' B' ' 91' ' ' ARG . 21.1 t70 57.48 81.12 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.041 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.1 177.45 7.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.473 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 40.9 mt-10 -77.06 113.05 27.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.059 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . 0.474 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 11.3 Cg_endo -91.13 158.99 3.85 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 123.413 2.742 . . . . 0.0 112.455 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.36 -71.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.797 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -87.9 -163.37 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.053 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.5 p -174.59 158.79 2.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.43 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 56.9 t80 -154.15 148.81 26.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.826 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 78.1 p -159.95 140.42 11.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.765 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -149.88 135.78 18.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 111.404 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.16 138.56 31.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.063 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 98.3 mt -140.99 145.46 25.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.938 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -149.11 161.36 42.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.584 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.729 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 15.8 t -136.44 155.52 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.93 0.395 . . . . 0.0 111.092 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.418 ' N ' HG12 ' B' ' 110' ' ' VAL . 28.8 mmt180 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.144 -0.931 . . . . 0.0 110.995 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.842 0.353 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.42 -175.95 3.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.513 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 67.1 tp -168.98 149.53 4.34 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.618 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -162.85 -27.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.177 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -79.61 109.81 14.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.959 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.54 ' C ' ' H ' ' B' ' 12' ' ' ASP . . . -72.48 157.11 38.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 t70 63.39 -13.8 0.08 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.132 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.54 ' H ' ' C ' ' B' ' 10' ' ' ALA . 23.5 t70 -83.36 7.6 16.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.148 0.499 . . . . 0.0 109.869 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 12.9 m -88.19 170.9 10.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.789 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.501 ' O ' ' N ' ' B' ' 16' ' ' LEU . 27.9 m -164.43 165.15 13.15 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.259 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . 0.466 ' HB3' ' NE2' ' B' ' 109' ' ' GLN . 53.1 Cg_exo -52.89 81.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.056 1.837 . . . . 0.0 111.792 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' B' ' 14' ' ' SER . 5.9 mt -51.74 163.01 0.35 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.507 0.67 . . . . 0.0 112.622 -179.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -133.98 77.6 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.214 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.404 HD13 ' HB3' ' B' ' 16' ' ' LEU . 10.9 mp -92.84 -169.13 2.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.181 -179.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.1 m -157.59 156.04 31.21 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.088 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.625 HE21 ' HA ' ' B' ' 80' ' ' ALA . 93.5 mt-30 -49.63 100.71 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.01 24.23 0.99 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.287 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.43 ' HA ' HE21 ' B' ' 22' ' ' GLN . 0.0 OUTLIER -115.19 105.05 12.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.708 0.29 . . . . 0.0 111.021 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -80.09 159.77 26.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.058 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.505 HD23 ' N ' ' B' ' 25' ' ' VAL . 3.6 tt -159.44 132.33 6.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.505 ' N ' HD23 ' B' ' 24' ' ' LEU . 88.7 t -128.31 116.4 41.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.749 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.544 ' HB2' ' HB2' ' B' ' 74' ' ' TRP . 44.4 mt -93.11 155.67 17.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.0 0.429 . . . . 0.0 111.357 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 67.7 m -157.07 103.3 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.447 HD22 ' N ' ' B' ' 28' ' ' LEU . 3.6 mm? -104.03 148.38 35.79 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.744 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -79.78 119.69 4.08 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.497 2.132 . . . . 0.0 112.335 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 87.9 p -124.49 -174.78 3.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -135.59 92.82 16.76 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . 0.409 ' HB3' HH12 ' B' ' 37' ' ' ARG . 32.8 Cg_exo -60.03 -13.96 25.86 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.51 2.14 . . . . 0.0 112.44 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 53.6 m -76.45 -30.33 57.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.2 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 40.7 p -87.48 -74.16 0.45 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.559 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.51 -17.94 1.14 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.712 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -82.74 98.99 9.38 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.47 0.652 . . . . 0.0 110.921 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.409 HH12 ' HB3' ' B' ' 32' ' ' PRO . 0.8 OUTLIER -95.58 -158.63 0.66 Allowed 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.26 179.155 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -120.78 117.4 27.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.41 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -100.64 146.44 27.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.607 ' HG ' ' HG ' ' B' ' 88' ' ' LEU . 0.8 OUTLIER -108.13 103.53 12.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.599 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.473 ' NE ' ' HA ' ' B' ' 41' ' ' ARG . 4.0 mmp_? -71.57 -66.86 0.57 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.156 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -109.11 94.18 14.54 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.661 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.441 ' HB3' HD13 ' B' ' 40' ' ' LEU . 88.1 Cg_endo -81.63 9.71 3.79 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.593 2.195 . . . . 0.0 112.921 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.561 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 55.37 32.92 19.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.588 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.12 -15.02 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.784 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 48.1 t -68.88 -14.96 63.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.039 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.426 HG23 ' HG ' ' B' ' 48' ' ' LEU . 32.8 m -142.99 -10.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.101 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' B' ' 44' ' ' ALA . 80.0 mt -115.59 120.85 40.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.064 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.78 -166.86 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.577 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.575 ' HB3' ' H ' ' B' ' 77' ' ' ARG . 54.9 ttt180 . . . . . 0 C--N 1.331 -0.217 0 CA-C-O 120.903 0.383 . . . . 0.0 111.335 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.893 0.378 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 80.5 p -76.2 -175.72 3.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.77 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 56.5 m -153.42 123.74 7.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.16 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.544 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 76.7 m95 -134.0 132.65 40.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.635 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -136.21 134.54 38.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.173 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.49 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 1.4 p90 -168.04 149.83 5.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.575 ' H ' ' HB3' ' B' ' 50' ' ' ARG . 1.5 tmm_? -129.36 143.27 50.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.725 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.479 ' N ' ' HD2' ' B' ' 77' ' ' ARG . 42.9 t -62.78 116.91 3.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.543 -179.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.12 -36.16 12.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.409 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.625 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -152.39 172.56 16.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.093 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.745 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 25.8 p -75.66 -170.67 1.34 Allowed 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.136 0.493 . . . . 0.0 111.023 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.02 152.75 8.47 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.555 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -100.88 111.86 24.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.854 0.359 . . . . 0.0 111.026 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -137.6 -170.97 2.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.654 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -150.91 149.76 30.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.782 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 9.2 tp -96.82 144.81 26.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.355 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -141.8 109.81 5.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.859 0.362 . . . . 0.0 111.762 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.607 ' HG ' ' HG ' ' B' ' 40' ' ' LEU . 6.8 mp -121.08 157.03 30.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.336 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.603 HG21 ' HE ' ' B' ' 91' ' ' ARG . 15.4 m -143.23 171.77 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.732 0.301 . . . . 0.0 111.225 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' TYR . . . . . 0.468 ' CB ' ' HB2' ' B' ' 102' ' ' GLU . 44.1 t80 -116.37 97.4 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.393 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.603 ' HE ' HG21 ' B' ' 89' ' ' VAL . 18.9 ptt180 -167.53 167.85 13.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.554 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 40.7 mtt180 -60.74 122.96 72.26 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.651 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 35.8 Cg_exo -62.0 -27.89 79.97 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.711 2.274 . . . . 0.0 113.325 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' TRP . . . . . 0.48 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 18.1 p90 -81.15 19.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.674 0.273 . . . . 0.0 111.691 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . 0.554 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 46.7 mt-10 -112.23 125.08 53.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.831 0.348 . . . . 0.0 110.845 179.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -62.53 -51.43 67.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.954 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . 0.432 ' HA ' HH12 ' B' ' 91' ' ' ARG . 16.7 t70 -151.83 110.66 3.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.495 ' H ' ' NH1' ' B' ' 91' ' ' ARG . . . -138.23 -176.82 4.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.769 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -103.9 99.03 14.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.96 132.58 23.31 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.515 2.143 . . . . 0.0 112.247 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.41 -48.65 80.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.35 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.468 ' HB2' ' CB ' ' B' ' 90' ' ' TYR . 25.0 mt-10 -103.87 -170.7 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.1 p -167.88 161.03 12.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.63 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.561 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 66.6 t80 -155.41 155.13 33.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.472 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 28.7 t -167.61 140.72 3.36 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.499 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 20.0 t -144.54 113.53 6.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.676 0.274 . . . . 0.0 111.412 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.7 134.2 55.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.601 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 27.1 mt -138.17 116.35 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.703 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . 0.466 ' NE2' ' HB3' ' B' ' 15' ' ' PRO . 77.5 mt-30 -123.68 137.71 54.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.744 178.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.745 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 18.7 t -128.37 156.22 40.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.195 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.574 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 34.0 mmt180 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.025 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.424 ' O ' HD12 ' B' ' 24' ' ' LEU . 2.5 p . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 121.048 0.451 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.12 164.33 24.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.777 -178.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 62.9 tp -142.38 146.6 35.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.595 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -136.83 -42.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -88.05 159.12 18.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.77 -3.88 9.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -79.57 -18.39 51.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -93.83 -4.42 50.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 73.0 m -59.85 135.19 57.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.136 0.493 . . . . 0.0 111.175 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.444 ' HB2' ' HD2' ' B' ' 15' ' ' PRO . 6.7 p -173.43 163.06 3.33 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.07 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' B' ' 14' ' ' SER . 18.9 Cg_endo -61.28 77.51 0.08 OUTLIER 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.21 1.94 . . . . 0.0 111.463 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' B' ' 14' ' ' SER . 63.7 tp -83.49 137.63 33.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.381 -179.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.482 ' HA ' ' O ' ' B' ' 109' ' ' GLN . 6.1 mtpm? -82.23 104.27 12.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.897 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.549 ' HG ' HE22 ' B' ' 22' ' ' GLN . 10.6 mp -94.58 -169.24 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.903 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.2 m -154.76 149.93 27.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.036 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.426 HE21 ' HA ' ' B' ' 80' ' ' ALA . 71.9 mt-30 -70.58 104.29 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.905 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 152.25 23.34 0.05 OUTLIER Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.314 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.549 HE22 ' HG ' ' B' ' 18' ' ' LEU . 9.4 pt20 -143.18 165.62 26.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.717 0.259 . . . . 0.0 110.611 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -117.42 -173.31 2.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.379 0.609 . . . . 0.0 111.835 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.424 HD12 ' O ' ' B' ' 5' ' ' VAL . 9.4 tp -163.01 114.34 1.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.049 179.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.456 HG13 ' HG2' ' B' ' 75' ' ' ARG . 58.8 t -127.07 92.15 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.982 0.42 . . . . 0.0 110.885 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.71 157.33 24.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.207 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 66.6 m -155.59 111.8 3.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -134.75 155.03 79.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.38 142.16 11.72 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.597 2.198 . . . . 0.0 112.435 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 73.4 p -146.31 -179.77 6.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.688 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -126.61 83.98 63.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.63 -16.79 56.79 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.628 2.218 . . . . 0.0 112.217 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 67.6 p -89.16 -17.94 28.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 90.1 m -83.37 -68.26 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.06 -36.6 0.56 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.538 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -78.03 102.55 7.48 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.06 0.457 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.423 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 14.9 mmm180 -103.2 -159.54 0.73 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.129 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.423 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 97.0 m95 -118.54 126.35 51.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.831 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -111.04 134.13 52.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' B' ' 43' ' ' PRO . 51.4 tp -79.56 130.25 35.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.736 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.635 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 0.0 OUTLIER -110.01 -50.85 2.93 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.274 -179.526 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.59 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 63.0 t30 -143.87 93.2 6.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.024 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.619 ' HB3' HD21 ' B' ' 40' ' ' LEU . 75.4 Cg_endo -76.83 13.07 1.53 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.554 2.17 . . . . 0.0 112.589 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.444 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 54.24 30.67 12.74 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.04 -9.52 2.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.461 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 57.6 m -62.44 -32.28 73.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.411 HG23 ' HG ' ' B' ' 48' ' ' LEU . 35.9 m -130.98 -36.45 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.635 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.569 HD22 HG22 ' B' ' 78' ' ' VAL . 14.2 mt -88.57 124.41 34.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.789 0.328 . . . . 0.0 110.856 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -85.84 144.17 27.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.85 0.357 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 78.8 p -108.11 134.5 50.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.963 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 63.0 m -145.46 103.83 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.869 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -105.85 114.2 28.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.788 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.456 ' HG2' HG13 ' B' ' 25' ' ' VAL . 72.6 mtm180 -97.81 141.14 31.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.083 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -146.29 166.94 24.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.498 ' HD3' ' N ' ' B' ' 78' ' ' VAL . 4.1 tmt_? -151.78 136.39 17.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.392 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.569 HG22 HD22 ' B' ' 48' ' ' LEU . 26.6 t -86.42 121.46 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.085 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.484 ' HB2' HH11 ' B' ' 77' ' ' ARG . . . -132.7 -19.18 2.37 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.529 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.426 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -129.64 152.06 49.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.931 0.396 . . . . 0.0 111.262 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.617 ' HB2' ' HB2' ' B' ' 111' ' ' ARG . 11.8 p -88.45 -179.55 6.1 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 115.76 179.48 18.27 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.513 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -100.74 154.36 18.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.938 0.399 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -168.59 -176.08 2.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.649 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -163.2 111.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.525 ' HG ' HD12 ' B' ' 108' ' ' ILE . 17.5 mt -64.56 143.41 57.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.754 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.59 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 18.8 mt-10 -139.42 109.25 6.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.272 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.406 ' N ' HD12 ' B' ' 88' ' ' LEU . 6.4 mp -118.72 118.5 31.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.3 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.446 HG22 ' N ' ' B' ' 90' ' ' TYR . 7.8 p -99.83 160.8 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.112 0.482 . . . . 0.0 111.315 -179.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' TYR . . . . . 0.446 ' N ' HG22 ' B' ' 89' ' ' VAL . 61.8 t80 -115.09 97.96 6.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.941 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.543 HH21 ' HG3' ' B' ' 100' ' ' PRO . 16.4 ptp180 -151.04 179.54 8.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.823 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.461 ' HA ' ' HD3' ' B' ' 93' ' ' PRO . 99.1 mtt180 -83.72 137.9 41.02 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.577 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 19.4 Cg_exo -66.62 -43.18 7.95 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.79 2.327 . . . . 0.0 113.329 -179.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' TRP . . . . . 0.455 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 4.2 p90 -68.59 -17.13 64.07 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . 0.429 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 35.9 mt-10 -78.46 -21.61 48.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.491 0.186 . . . . 0.0 111.236 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt 62.82 -79.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.283 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -124.09 101.56 7.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.825 0.345 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.77 -178.95 6.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.986 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -78.3 113.32 32.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.059 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . 0.543 ' HG3' HH21 ' B' ' 91' ' ' ARG . 84.9 Cg_endo -79.97 165.8 21.58 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.59 2.193 . . . . 0.0 112.605 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.19 -53.53 4.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.007 0.432 . . . . 0.0 110.946 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -104.0 -163.01 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.616 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.1 p -175.04 155.64 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.831 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -152.1 140.36 20.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 80.2 p -159.21 121.35 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.561 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.66 140.0 53.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.029 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.404 ' HB3' ' C ' ' B' ' 14' ' ' SER . . . -82.56 141.0 32.95 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . 0.525 HD12 ' HG ' ' B' ' 86' ' ' LEU . 90.6 mt -147.97 131.75 8.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . 0.482 ' O ' ' HA ' ' B' ' 17' ' ' LYS . 8.4 tt0 -149.64 108.46 3.86 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.799 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.606 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 55.2 t -59.96 -91.4 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.112 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.617 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 39.7 mmt180 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.911 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' B' ' 24' ' ' LEU . 58.9 t . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.677 0.275 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.44 HG22 ' N ' ' B' ' 7' ' ' LEU . 3.5 m -124.28 163.83 20.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.898 0.38 . . . . 0.0 111.236 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.459 HD23 ' N ' ' B' ' 8' ' ' ASP . 0.5 OUTLIER -133.81 128.63 35.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.522 179.843 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.459 ' N ' HD23 ' B' ' 7' ' ' LEU . 19.2 t70 -139.4 -8.64 1.29 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -129.39 114.17 15.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.559 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.12 -0.57 7.98 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.829 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -106.81 -6.43 17.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.797 0.332 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -80.01 12.18 2.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.592 ' HB3' ' HA ' ' B' ' 106' ' ' CYS . 38.3 m -59.6 143.81 49.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.444 ' HA ' ' HD3' ' B' ' 15' ' ' PRO . 32.2 t -177.77 138.14 0.39 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.698 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 14' ' ' SER . 24.3 Cg_exo -63.66 80.78 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.282 1.988 . . . . 0.0 111.583 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 44.3 tp -89.97 161.13 16.03 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.638 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -112.58 131.52 55.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.702 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.634 ' H ' ' HA ' ' B' ' 110' ' ' VAL . 11.0 mp -114.68 -167.61 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.764 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.9 m -154.56 144.73 21.94 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.682 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -56.65 100.41 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.809 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 150.76 -8.68 0.72 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.544 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -104.02 -179.38 3.93 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -146.98 -171.67 3.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.483 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.518 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 3.2 tt -167.41 134.22 2.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.488 178.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.561 HG22 ' HG2' ' B' ' 75' ' ' ARG . 90.9 t -129.41 115.21 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.609 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.444 HD11 HD13 ' B' ' 86' ' ' LEU . 96.0 mt -78.96 138.28 37.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.974 0.416 . . . . 0.0 111.284 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 54.8 m -132.61 120.03 21.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' B' ' 72' ' ' SER . 6.4 mp -111.34 154.02 43.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.285 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -80.4 12.89 2.39 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 123.03 2.487 . . . . 0.0 111.392 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.42 ' CB ' ' HE1' ' B' ' 38' ' ' TRP . 84.4 p -57.97 173.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.215 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . 0.52 HD22 HG23 ' B' ' 34' ' ' THR . 6.7 t30 -147.83 141.83 16.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.605 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -52.17 -59.16 1.19 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.506 2.137 . . . . 0.0 112.913 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 43.2 m -82.65 84.83 7.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.485 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.52 HG23 HD22 ' B' ' 31' ' ' ASN . 27.0 p -150.31 -68.72 0.19 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.965 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.98 -36.74 1.65 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.836 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . 0.601 ' HA ' ' HG2' ' B' ' 92' ' ' ARG . 17.8 m-85 -88.31 101.17 13.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.089 0.471 . . . . 0.0 110.92 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -77.67 -147.12 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.507 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.42 ' HE1' ' CB ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -136.65 120.11 17.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.763 179.857 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -111.93 118.56 35.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.758 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.503 HD23 ' N ' ' B' ' 41' ' ' ARG . 2.0 tt -91.13 128.8 37.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.905 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.503 ' N ' HD23 ' B' ' 40' ' ' LEU . 22.4 mmm180 -96.75 -67.03 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.938 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.613 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 62.7 t30 -118.14 95.57 48.53 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.059 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.424 ' HA ' ' CD2' ' B' ' 86' ' ' LEU . 86.5 Cg_endo -77.56 5.66 5.02 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.531 2.154 . . . . 0.0 112.906 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.439 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 54.67 27.99 9.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.821 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.3 -17.22 18.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.463 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.3 t -62.54 -21.58 65.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.076 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 30.6 m -131.8 -13.07 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.502 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' B' ' 44' ' ' ALA . 80.1 mt -109.27 159.92 16.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.842 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.62 ' HE2' ' HA ' ' B' ' 49' ' ' LYS . 0.1 OUTLIER -137.24 -142.45 0.17 Allowed 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.486 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.528 ' HB3' ' HA ' ' B' ' 76' ' ' PHE . 46.7 ttt180 . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 121.315 0.578 . . . . 0.0 110.805 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.891 0.377 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . 0.54 ' HB3' HD13 ' B' ' 28' ' ' LEU . 46.9 t -96.46 154.04 17.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.828 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 39.7 m -155.3 83.98 1.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.238 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -86.05 110.68 19.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.267 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.561 ' HG2' HG22 ' B' ' 25' ' ' VAL . 91.3 mtt180 -108.03 137.77 45.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 111.702 -179.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.528 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -151.53 161.56 42.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.51 179.278 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.519 ' HD2' ' N ' ' B' ' 78' ' ' VAL . 3.2 tmm_? -134.4 135.63 42.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.53 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.519 ' N ' ' HD2' ' B' ' 77' ' ' ARG . 56.1 t -59.33 108.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.969 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.551 ' HB2' ' HB2' ' B' ' 49' ' ' LYS . . . -92.31 -47.89 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.404 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.47 171.82 14.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.715 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 52.4 p -69.01 -165.03 0.06 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.718 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.71 159.11 12.38 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.682 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -110.79 112.15 23.81 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.897 0.379 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.05 -168.11 1.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.955 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -161.98 115.61 1.84 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.762 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.466 HD22 HD11 ' B' ' 88' ' ' LEU . 5.7 mt -63.08 135.51 57.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.685 0.279 . . . . 0.0 110.718 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.613 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 23.6 mt-10 -136.45 111.65 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.002 -179.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.598 ' HB2' ' HB2' ' B' ' 104' ' ' PHE . 4.9 mp -134.34 168.49 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.45 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 13.2 m -148.88 134.17 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.982 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -87.4 85.16 7.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.407 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.749 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 16.4 ptm180 -139.62 -173.2 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.32 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.601 ' HG2' ' HA ' ' B' ' 36' ' ' PHE . 78.7 mtt180 -91.56 151.08 42.17 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.563 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 5.3 Cg_exo -74.21 -22.79 16.31 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.908 2.405 . . . . 0.0 113.502 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' TRP . . . . . 0.53 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 27.5 p90 -98.53 30.26 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.603 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -127.95 115.47 18.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -69.35 -62.07 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.123 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -137.0 96.42 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.26 130.54 15.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.452 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 37.8 mt-10 -53.28 121.81 27.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . 0.749 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 55.7 Cg_endo -94.16 -178.01 0.61 Allowed 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.325 2.683 . . . . 0.0 112.877 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.82 -69.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.687 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -99.69 -169.87 1.81 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.149 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 39.4 m -167.97 157.44 9.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.083 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.598 ' HB2' ' HB2' ' B' ' 88' ' ' LEU . 17.1 m-85 -139.0 139.99 38.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.067 0.46 . . . . 0.0 111.517 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' B' ' 86' ' ' LEU . 78.7 p -174.39 82.82 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.485 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' CYS . . . . . 0.592 ' HA ' ' HB3' ' B' ' 13' ' ' CYS . 96.6 m -114.84 145.73 41.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.089 0.471 . . . . 0.0 111.466 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.01 143.98 39.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.215 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 68.7 mt -147.44 118.83 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.649 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . 0.429 ' NE2' ' HB3' ' B' ' 15' ' ' PRO . 76.8 mt-30 -129.62 163.92 25.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.901 0.381 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.715 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 25.6 t -133.59 157.43 42.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.742 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.447 ' N ' HG12 ' B' ' 110' ' ' VAL . 21.0 tpt180 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.054 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 66.9 t . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.663 0.268 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 m -68.64 161.91 27.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.336 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 56.5 tp -145.76 159.02 43.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.699 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -163.15 -61.3 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -71.09 142.16 50.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.83 -17.67 24.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -73.66 -30.78 63.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.0 -1.24 47.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 84.3 m -81.8 120.45 25.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.015 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.507 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 19.5 m -155.54 161.08 30.21 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.426 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 28.5 Cg_endo -63.18 78.06 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.278 1.986 . . . . 0.0 111.645 179.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.465 HD12 ' H ' ' B' ' 17' ' ' LYS . 47.1 tp -97.46 142.06 29.77 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.43 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.465 ' H ' HD12 ' B' ' 16' ' ' LEU . 14.1 mptt -74.24 141.0 45.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.13 0.49 . . . . 0.0 110.925 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.519 ' H ' ' HA ' ' B' ' 110' ' ' VAL . 3.9 mp -126.97 -163.72 1.28 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.789 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.2 t -161.09 141.87 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.456 ' CD ' ' H ' ' B' ' 20' ' ' GLN . 22.1 mp0 -58.25 119.06 6.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.507 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.487 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 134.28 6.4 2.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.01 -179.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.449 ' NE2' ' HG ' ' B' ' 18' ' ' LEU . 9.7 mt-30 -124.37 160.33 28.37 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -135.92 -164.54 1.56 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.228 0.537 . . . . 0.0 112.134 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' B' ' 75' ' ' ARG . 5.2 tp -157.81 147.36 19.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.911 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 15.9 t -148.56 107.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.567 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -109.28 143.06 39.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.829 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 59.3 m -138.31 117.37 12.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.402 ' HB3' ' HD2' ' B' ' 29' ' ' PRO . 81.1 mt -120.67 157.6 53.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' B' ' 28' ' ' LEU . 74.3 Cg_endo -76.27 130.18 11.81 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.476 2.118 . . . . 0.0 112.225 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.406 ' HB3' ' HE1' ' B' ' 38' ' ' TRP . 82.4 p -165.87 124.75 1.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -77.21 119.61 78.19 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.723 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.28 164.34 36.07 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.563 2.175 . . . . 0.0 112.461 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . 0.564 ' H ' HH12 ' B' ' 37' ' ' ARG . 69.2 p 49.81 26.01 1.76 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.502 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 90.3 m -97.77 -64.06 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.04 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.46 -47.11 0.32 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.618 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -92.66 104.54 16.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.954 0.406 . . . . 0.0 111.241 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.564 HH12 ' H ' ' B' ' 33' ' ' THR . 0.3 OUTLIER -103.61 -155.22 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.323 179.514 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.406 ' HE1' ' HB3' ' B' ' 30' ' ' SER . 93.3 m95 -128.89 115.68 18.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.67 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -97.0 147.91 23.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.529 HD23 ' HG ' ' B' ' 88' ' ' LEU . 85.1 mt -100.72 100.99 11.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.18 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -75.56 -13.44 60.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.974 0.416 . . . . 0.0 110.099 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.442 ' HB2' ' HB2' ' B' ' 87' ' ' GLU . 6.1 t30 -167.7 89.89 0.7 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.626 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.44 6.43 3.15 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.372 2.048 . . . . 0.0 112.523 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.3 26.27 10.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.65 -6.91 3.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.262 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 57.5 m -69.3 -34.6 74.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.054 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.469 HG23 ' HG ' ' B' ' 48' ' ' LEU . 31.4 m -127.63 -39.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.488 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.576 HD22 HG22 ' B' ' 78' ' ' VAL . 13.9 mt -88.63 125.71 34.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.746 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.466 ' NZ ' ' HB3' ' B' ' 49' ' ' LYS . 5.6 ttpm? -84.57 139.81 31.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.693 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 53.0 m -65.8 119.94 12.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 66.2 m -110.14 128.2 55.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -115.12 103.39 10.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.979 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' B' ' 24' ' ' LEU . 53.1 ttp180 -110.4 128.25 55.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -138.28 152.69 48.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.9 0.381 . . . . 0.0 111.406 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.487 ' NH2' ' HA2' ' B' ' 21' ' ' GLY . 7.4 tpt180 -130.44 144.24 51.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.326 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.576 HG22 HD22 ' B' ' 48' ' ' LEU . 40.1 t -87.89 115.24 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.891 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.63 -41.24 8.22 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.603 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.413 ' C ' HE21 ' B' ' 20' ' ' GLN . . . -140.39 179.91 6.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.955 0.407 . . . . 0.0 111.336 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.743 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 74.7 m -86.44 -168.11 2.12 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.822 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 112.91 169.44 17.53 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.588 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . 0.477 ' HB3' HE22 ' B' ' 109' ' ' GLN . 3.5 p30 -94.37 149.92 20.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.764 0.316 . . . . 0.0 110.73 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -167.38 170.79 11.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.708 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -155.69 108.49 2.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.411 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.413 ' HG ' HD11 ' B' ' 88' ' ' LEU . 11.4 tp -65.19 123.99 20.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.948 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.442 ' HB2' ' HB2' ' B' ' 42' ' ' ASN . 36.0 mt-10 -117.18 125.63 51.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.529 ' HG ' HD23 ' B' ' 40' ' ' LEU . 5.3 mp -133.35 149.47 51.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.685 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.437 HG21 ' HE ' ' B' ' 91' ' ' ARG . 27.8 m -140.8 158.95 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.967 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' TYR . . . . . 0.553 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 36.8 t80 -110.03 102.91 11.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.03 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.492 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 22.6 ptt180 -166.67 178.51 5.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.815 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -61.67 134.87 93.98 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.572 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -83.45 29.36 0.55 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.859 2.373 . . . . 0.0 114.849 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' TRP . . . . . 0.42 ' CZ3' ' HG2' ' B' ' 95' ' ' GLU . 31.4 p-90 -130.53 -12.98 3.86 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.22 0.533 . . . . 0.0 109.704 178.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . 0.42 ' HG2' ' CZ3' ' B' ' 94' ' ' TRP . 29.1 mt-10 -71.5 144.71 49.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.983 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' B' ' 96' ' ' LYS . 0.0 OUTLIER -91.51 -35.42 14.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.668 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -170.1 102.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.857 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.91 146.34 25.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 39.3 mt-10 -57.08 111.94 3.99 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.008 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . 0.492 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 1.9 Cg_endo -82.49 163.77 16.74 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.104 2.536 . . . . 0.0 112.195 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.82 -69.37 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.662 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.553 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 3.0 mm-40 -90.46 -164.37 1.16 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.946 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.1 p -175.96 166.63 3.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.059 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.485 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 44.2 t80 -162.72 149.66 13.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.766 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 79.3 p -167.8 141.58 3.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 93.2 m -149.45 134.19 17.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.5 147.34 27.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.231 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 80.0 mt -145.67 136.4 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . 0.477 HE22 ' HB3' ' B' ' 83' ' ' ASP . 0.0 OUTLIER -131.03 146.81 52.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.651 179.831 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.743 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 4.4 t -139.79 149.99 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.892 0.377 . . . . 0.0 111.117 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.845 179.824 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.465 0.316 0 CA-C-O 120.914 0.388 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' B' ' 25' ' ' VAL . 1.7 m -74.34 159.24 32.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.493 -179.769 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -160.17 -166.01 1.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.542 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -158.38 -38.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.247 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -73.11 123.73 24.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.907 -179.733 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.531 ' C ' ' H ' ' B' ' 12' ' ' ASP . . . -83.52 171.82 13.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.19 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 t70 64.07 -16.48 0.07 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.174 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' B' ' 10' ' ' ALA . 23.2 t70 -81.2 4.34 20.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.077 0.465 . . . . 0.0 110.215 179.645 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 74.5 m -79.71 -80.35 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.246 -179.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.587 ' O ' ' N ' ' B' ' 16' ' ' LEU . 12.5 p 65.7 162.33 0.13 Allowed Pre-proline 0 CA--C 1.522 -0.102 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.39 75.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.462 2.108 . . . . 0.0 112.466 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' B' ' 14' ' ' SER . 6.7 mt -54.72 170.56 0.16 Allowed 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.395 0.617 . . . . 0.0 111.891 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' B' ' 17' ' ' LYS . 11.5 mptt -115.64 87.7 2.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.41 179.803 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.442 ' HB2' HG22 ' B' ' 110' ' ' VAL . 9.8 mp -98.53 -174.6 2.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.382 -179.696 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.407 HG22 ' N ' ' B' ' 20' ' ' GLN . 13.1 m -163.05 157.31 20.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.953 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.53 HE21 ' HA ' ' B' ' 80' ' ' ALA . 94.6 mt-30 -51.15 99.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.766 179.758 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.43 20.55 1.75 Allowed Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.939 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.439 ' HB2' HG21 ' B' ' 78' ' ' VAL . 6.4 mm100 -104.77 167.23 9.86 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.671 0.272 . . . . 0.0 110.273 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -141.77 117.5 10.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 -179.172 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 52.3 tp -96.89 114.21 25.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.871 178.59 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.568 HG13 ' HG2' ' B' ' 75' ' ' ARG . 20.7 t -118.24 158.31 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.023 -179.412 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.434 ' N ' HG12 ' B' ' 25' ' ' VAL . 67.5 tp -166.62 147.18 6.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.838 0.352 . . . . 0.0 111.028 179.777 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 73.7 m -138.84 132.09 29.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 89.2 mt -136.65 127.97 16.73 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.458 ' HA ' ' HG2' ' B' ' 71' ' ' GLU . 24.5 Cg_exo -63.56 146.31 92.61 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.507 2.138 . . . . 0.0 112.272 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 80.6 p -149.01 122.08 8.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.74 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -60.96 112.88 6.41 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.08 137.9 82.21 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.461 2.107 . . . . 0.0 112.268 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . 0.604 ' H ' HH12 ' B' ' 37' ' ' ARG . 33.3 m 54.46 80.0 0.13 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.152 -179.831 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 67.3 m -141.3 -59.51 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.06 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.54 -51.04 0.5 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.024 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -94.24 110.39 22.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.301 0.572 . . . . 0.0 111.049 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.604 HH12 ' H ' ' B' ' 33' ' ' THR . 14.3 mmt180 -104.54 -154.11 0.5 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.155 179.35 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -117.92 111.7 19.35 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.822 179.298 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -102.32 133.78 46.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.159 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 tt -81.76 120.68 25.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.111 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.532 ' NE ' ' HA ' ' B' ' 41' ' ' ARG . 5.7 tpm_? -88.2 -66.85 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.043 -179.538 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.596 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 56.1 t30 -123.34 101.44 37.74 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.62 179.704 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.65 6.29 3.76 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.535 2.157 . . . . 0.0 112.993 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.37 26.61 3.19 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.754 0.312 . . . . 0.0 110.827 -179.637 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.31 -13.54 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.466 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 45.9 t -60.8 -27.55 68.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.451 HG23 ' HG ' ' B' ' 48' ' ' LEU . 20.4 m -130.65 -43.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.726 -179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.511 HD22 HG22 ' B' ' 78' ' ' VAL . 21.1 mt -80.15 161.43 25.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.78 0.324 . . . . 0.0 110.742 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.56 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . 77.8 tttt -118.38 142.77 47.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.804 -179.731 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.138 -179.937 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . 0.458 ' HG2' ' HA ' ' B' ' 29' ' ' PRO . 45.3 mt-10 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.837 0.351 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 78.6 p -141.36 157.66 44.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 52.9 m -142.85 143.05 31.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.184 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.422 ' O ' ' HA ' ' B' ' 25' ' ' VAL . 22.5 m-90 -126.83 131.6 51.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.82 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.568 ' HG2' HG13 ' B' ' 25' ' ' VAL . 71.6 mtm180 -144.66 117.12 8.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.748 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -131.21 135.53 47.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.835 0.35 . . . . 0.0 111.334 -179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -101.15 128.45 47.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.188 179.554 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.511 HG22 HD22 ' B' ' 48' ' ' LEU . 16.3 t -67.17 134.52 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.382 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.56 ' HB2' ' HB2' ' B' ' 49' ' ' LYS . . . -108.69 -37.04 6.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.302 -179.632 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.53 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -151.55 179.71 8.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.912 0.386 . . . . 0.0 111.335 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.752 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 5.3 p -84.22 -171.24 3.5 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.989 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 121.55 160.11 10.91 Favored Glycine 0 C--N 1.323 -0.186 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.327 -179.689 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.83 130.05 44.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.94 0.4 . . . . 0.0 111.252 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -154.33 -171.53 3.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.459 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -162.84 109.93 1.23 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.045 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 13.0 tp -63.32 124.11 20.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.462 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.596 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 16.5 mt-10 -117.96 129.19 55.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.087 0.47 . . . . 0.0 111.386 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.3 mp -137.41 145.65 43.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.146 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 5.7 m -139.88 149.15 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.023 0.439 . . . . 0.0 111.475 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 90' ' ' TYR . . . . . 0.538 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 60.5 t80 -94.49 94.01 7.97 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.8 -179.619 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.645 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 17.6 ptp180 -146.53 -173.75 4.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.504 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 99.1 mtt180 -84.42 122.48 75.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.372 179.713 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.54 -46.81 27.4 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.805 2.337 . . . . 0.0 113.316 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 94' ' ' TRP . . . . . 0.504 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 7.2 p90 -59.33 -18.82 41.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.642 -179.313 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -82.74 138.1 34.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.743 0.306 . . . . 0.0 110.884 179.647 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -77.62 -59.57 2.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -145.75 101.88 3.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.16 -179.31 5.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 179.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -89.0 110.12 35.66 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.992 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . 0.645 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 73.4 Cg_endo -75.76 162.22 35.48 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.595 2.197 . . . . 0.0 112.471 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.02 -48.2 10.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.192 0.52 . . . . 0.0 110.302 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.538 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 5.1 mm-40 -109.42 -162.1 0.79 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.884 179.421 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.4 p -176.61 159.46 1.87 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.208 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -154.18 143.02 21.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.654 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 56.1 m -157.89 140.32 14.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.162 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 67.6 m -149.78 127.14 11.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.048 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.66 142.83 33.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.558 179.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . 0.49 HD13 HD11 ' B' ' 48' ' ' LEU . 40.8 mt -135.54 112.52 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.967 0.413 . . . . 0.0 111.765 -179.596 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -110.19 107.55 17.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.642 179.223 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.752 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 10.8 t -98.88 154.81 3.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.985 0.421 . . . . 0.0 111.405 -179.691 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.624 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 27.9 tpt180 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.791 179.611 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.414 ' O ' HD12 ' B' ' 24' ' ' LEU . 1.7 p . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.91 0.386 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -75.78 162.64 28.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.435 -179.209 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 84.6 mt -140.19 160.11 40.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.051 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -148.88 6.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.636 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -164.92 146.69 7.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.826 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.415 ' HA ' ' SG ' ' B' ' 13' ' ' CYS . . . -71.59 -19.11 62.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.4 -179.695 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -63.78 -42.72 97.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.044 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -105.56 28.36 7.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.021 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.415 ' SG ' ' HA ' ' B' ' 10' ' ' ALA . 0.6 OUTLIER -46.58 -84.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.226 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' B' ' 107' ' ' ALA . 66.8 m -159.08 146.08 12.89 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.525 179.744 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -79.36 33.27 0.49 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.614 2.21 . . . . 0.0 113.238 -179.363 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' B' ' 109' ' ' GLN . 36.5 tp 60.45 -110.41 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.65 179.655 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.622 ' HA ' ' O ' ' B' ' 109' ' ' GLN . 80.3 mttt -30.97 103.03 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.634 179.252 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mp -126.92 -160.53 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.874 -179.648 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.473 ' HA ' HG13 ' B' ' 110' ' ' VAL . 23.4 m -157.35 147.47 20.77 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.113 0.482 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -59.16 158.16 9.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.431 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 106.97 6.46 34.45 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.961 179.751 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -127.95 152.47 47.85 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.894 0.378 . . . . 0.0 110.539 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.601 ' HG2' ' HD3' ' B' ' 77' ' ' ARG . 32.7 mt-10 -118.78 -171.23 2.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.442 -179.789 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.414 HD12 ' O ' ' B' ' 5' ' ' VAL . 7.9 tp -161.14 143.22 12.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.318 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.513 HG22 ' HG2' ' B' ' 75' ' ' ARG . 64.9 t -146.99 91.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.103 178.837 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.9 mt -63.85 158.21 22.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.313 -179.431 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 63.2 m -145.64 103.19 3.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.967 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 79.3 mt -130.02 142.64 46.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -80.93 121.0 3.92 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.566 2.177 . . . . 0.0 112.431 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 80.4 p -165.42 125.44 1.82 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . 0.486 ' HB2' HG23 ' B' ' 34' ' ' THR . 78.8 m-20 -93.72 137.09 23.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.777 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -78.72 16.0 1.36 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.694 2.263 . . . . 0.0 112.71 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 78.2 p -123.22 11.74 9.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.208 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.486 HG23 ' HB2' ' B' ' 31' ' ' ASN . 71.9 p -99.36 -59.86 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.242 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.89 -45.23 0.89 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.007 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -87.54 102.84 14.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.038 0.447 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.615 ' HB2' ' HG3' ' B' ' 93' ' ' PRO . 14.6 mmm180 -102.91 -156.59 0.57 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.793 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . 0.49 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 95.4 m95 -122.79 115.47 22.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.662 179.855 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -90.95 149.81 21.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.47 -179.411 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' B' ' 43' ' ' PRO . 68.6 tp -104.62 116.22 31.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.561 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -94.99 -60.55 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.385 -179.698 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.597 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 63.7 t30 -133.18 90.84 29.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.075 -179.716 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.598 ' HB3' HD21 ' B' ' 40' ' ' LEU . 58.1 Cg_endo -71.17 -0.48 8.1 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.618 2.212 . . . . 0.0 112.667 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.402 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 55.97 23.95 7.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.931 0.396 . . . . 0.0 110.449 -179.327 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.62 -15.81 5.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.415 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 55.0 m -59.41 -27.44 66.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.992 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.401 ' HA ' ' HB3' ' B' ' 80' ' ' ALA . 27.6 m -130.39 -11.25 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.468 -179.82 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.595 HD22 HG22 ' B' ' 78' ' ' VAL . 15.6 mt -113.35 112.34 23.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.868 0.366 . . . . 0.0 110.766 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -74.64 138.86 43.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.085 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.598 179.915 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 47.6 t -76.4 134.6 39.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.981 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 60.7 m -143.14 115.95 8.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.953 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -112.29 112.84 24.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.061 -179.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.513 ' HG2' HG22 ' B' ' 25' ' ' VAL . 72.4 mtm180 -105.2 133.55 49.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -144.93 155.02 43.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.909 0.385 . . . . 0.0 111.297 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.601 ' HD3' ' HG2' ' B' ' 23' ' ' GLU . 9.8 tpt180 -137.04 140.89 42.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.505 179.615 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.595 HG22 HD22 ' B' ' 48' ' ' LEU . 9.1 t -96.71 110.05 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.561 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.28 -3.87 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.76 -179.399 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.408 ' O ' HG21 ' B' ' 110' ' ' VAL . . . -130.38 150.87 51.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.107 0.479 . . . . 0.0 111.462 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.73 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 17.1 p -89.71 163.0 15.29 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.812 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 134.43 163.41 10.23 Favored Glycine 0 C--N 1.317 -0.489 0 CA-C-N 115.243 -0.89 . . . . 0.0 112.361 -179.785 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . 0.435 ' HA ' ' HG3' ' B' ' 109' ' ' GLN . 1.9 p-10 -95.16 120.78 35.97 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.864 0.364 . . . . 0.0 110.962 179.862 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -143.27 179.13 7.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -158.22 107.67 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.636 -179.701 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.483 ' CD1' ' HA ' ' B' ' 43' ' ' PRO . 59.8 tp -55.28 148.51 14.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.603 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.597 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 28.0 mt-10 -147.21 128.05 14.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.081 0.467 . . . . 0.0 111.946 -179.003 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.523 ' HB2' ' HB3' ' B' ' 104' ' ' PHE . 5.2 mp -144.69 154.61 42.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.334 178.772 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 22.6 m -141.16 168.25 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 179.805 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 90' ' ' TYR . . . . . 0.455 ' CB ' ' HB2' ' B' ' 102' ' ' GLU . 30.7 t80 -112.85 84.87 2.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.606 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.465 ' HE ' ' HG3' ' B' ' 100' ' ' PRO . 16.2 ptp180 -144.8 169.25 18.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.757 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.606 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 82.2 mtt180 -66.5 140.15 96.44 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.132 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 93' ' ' PRO . . . . . 0.615 ' HG3' ' HB2' ' B' ' 37' ' ' ARG . 3.9 Cg_exo -79.91 20.24 0.92 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.141 2.561 . . . . 0.0 114.954 -177.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 94' ' ' TRP . . . . . 0.457 ' CZ3' ' HG2' ' B' ' 95' ' ' GLU . 34.0 p-90 -127.07 -12.13 5.84 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.12 0.486 . . . . 0.0 109.944 179.253 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . 0.606 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 36.7 mt-10 -73.72 -45.2 53.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.027 -179.832 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 49.8 mttm 69.01 -9.88 0.55 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.483 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' B' ' 95' ' ' GLU . 16.8 t70 -176.88 94.46 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -153.65 -174.46 4.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.189 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -92.67 109.47 38.99 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.78 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . 0.465 ' HG3' ' HE ' ' B' ' 91' ' ' ARG . 4.0 Cg_endo -84.53 174.19 7.98 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.8 2.333 . . . . 0.0 112.288 -179.799 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.412 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -98.61 -37.5 9.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.79 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.455 ' HB2' ' CB ' ' B' ' 90' ' ' TYR . 23.1 mt-10 -116.07 -170.39 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.656 179.666 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.9 p -170.29 161.71 8.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.785 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . 0.523 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 3.2 t80 -154.12 147.62 25.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.749 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 81.3 p -169.55 117.91 0.62 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.802 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 106' ' ' CYS . . . . . 0.417 ' HB2' ' HB3' ' B' ' 86' ' ' LEU . 55.9 m -114.6 143.52 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.572 -179.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.479 ' C ' ' HA ' ' B' ' 16' ' ' LEU . . . -93.02 129.97 38.76 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.542 179.51 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 50.9 mt -149.08 107.25 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.293 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . 0.622 ' O ' ' HA ' ' B' ' 17' ' ' LYS . 29.1 tt0 -125.19 96.72 4.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.351 178.154 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.73 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 44.6 t -60.02 -95.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.471 -179.031 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.552 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 39.1 mmt180 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 121.215 0.531 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.426 HG23 ' O ' ' B' ' 25' ' ' VAL . 1.7 m -72.6 162.48 29.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.501 -179.427 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 42.1 mt -122.65 -171.59 2.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.949 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -167.65 -28.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -119.61 161.59 20.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.757 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.83 -34.06 11.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.564 -179.723 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.71 -18.95 65.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.064 -179.818 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -84.79 -8.24 58.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.006 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 52.8 m -87.34 155.55 20.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.319 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 30.4 m -164.63 158.85 15.33 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.425 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -60.09 79.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.374 2.049 . . . . 0.0 111.797 179.367 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.411 HD12 ' H ' ' B' ' 17' ' ' LYS . 60.4 tp -98.69 150.95 21.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.465 -179.306 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.411 ' H ' HD12 ' B' ' 16' ' ' LEU . 14.3 mptt -93.84 142.82 26.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.842 179.346 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.666 ' HB2' HG22 ' B' ' 110' ' ' VAL . 11.0 mp -118.33 -168.02 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.843 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 51.2 m -142.02 133.76 27.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.581 HE21 ' HA ' ' B' ' 80' ' ' ALA . 76.6 mt-30 -56.03 109.36 0.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.681 179.871 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.45 -33.13 1.7 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.679 -179.828 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -86.47 -169.5 2.67 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.619 0.247 . . . . 0.0 110.479 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.544 ' HB3' ' HD3' ' B' ' 77' ' ' ARG . 10.5 pt-20 -156.52 -176.28 5.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.134 0.492 . . . . 0.0 111.589 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 35.1 tp -147.97 149.86 32.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.631 179.469 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.426 ' O ' HG23 ' B' ' 6' ' ' THR . 73.6 t -134.91 148.08 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.729 179.655 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 90.5 mt -128.21 137.73 52.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.071 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.6 m -139.7 122.28 16.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.3 mt -137.67 148.15 60.0 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.08 131.79 43.49 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.553 2.169 . . . . 0.0 112.429 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 81.6 p -168.56 114.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.794 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -98.95 142.93 25.45 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -78.01 1.62 8.74 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.639 2.226 . . . . 0.0 112.48 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 78.6 p -100.4 4.03 43.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.273 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 73.0 p -102.09 -64.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.209 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.29 -35.79 2.44 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.066 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -76.03 97.97 4.18 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.929 0.395 . . . . 0.0 111.078 179.757 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -92.0 -153.74 0.35 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.177 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -126.08 107.13 10.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.332 . . . . 0.0 111.062 179.797 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -83.56 124.76 31.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.694 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.08 123.23 21.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 -179.728 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -102.36 -40.59 6.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.666 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.586 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 8.4 t30 -154.5 92.34 2.96 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.777 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.82 9.17 2.78 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.547 2.165 . . . . 0.0 112.654 -179.72 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.23 25.22 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.99 -11.17 5.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 -179.881 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 53.4 m -64.58 -32.21 73.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.492 HG23 ' HG ' ' B' ' 48' ' ' LEU . 28.3 m -123.28 -45.84 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.497 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.501 HD22 HG22 ' B' ' 78' ' ' VAL . 14.0 mt -81.84 144.73 30.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 110.182 179.846 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.582 ' HZ3' ' HB3' ' B' ' 77' ' ' ARG . 5.6 ttpm? -86.64 127.74 34.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.844 -179.706 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.293 -179.7 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.834 0.349 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 47.7 t -94.68 114.65 26.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.784 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 71.6 m -129.5 109.57 11.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.83 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -101.62 144.53 30.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -136.11 130.25 33.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.2 -179.818 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -137.63 120.21 16.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.609 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.582 ' HB3' ' HZ3' ' B' ' 49' ' ' LYS . 10.2 tpp180 -94.99 124.08 38.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.501 HG22 HD22 ' B' ' 48' ' ' LEU . 21.4 t -61.7 127.68 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.768 179.841 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -119.98 -36.69 3.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.804 -179.412 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.581 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -141.32 174.3 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.949 0.404 . . . . 0.0 111.496 -179.86 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.677 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 8.6 p -84.35 -169.77 2.77 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.176 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.95 157.65 11.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.543 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -88.5 152.49 21.84 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.646 0.26 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.436 ' OD2' ' HB ' ' B' ' 108' ' ' ILE . 10.0 p-10 -167.43 -175.72 2.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -166.13 106.05 0.68 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.742 -179.827 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.517 ' HG ' HD12 ' B' ' 108' ' ' ILE . 13.2 mt -59.53 137.94 57.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.034 0.445 . . . . 0.0 111.043 -179.696 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.586 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 12.2 mt-10 -137.91 113.44 9.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.78 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.419 ' N ' HD12 ' B' ' 88' ' ' LEU . 5.2 mp -128.05 117.1 21.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.898 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.493 HG11 ' NH2' ' B' ' 91' ' ' ARG . 10.0 p -104.73 160.12 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.74 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 90' ' ' TYR . . . . . 0.547 ' HB2' ' HB2' ' B' ' 102' ' ' GLU . 0.3 OUTLIER -74.08 -88.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.248 179.867 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.493 ' NH2' HG11 ' B' ' 89' ' ' VAL . 7.3 mtm180 48.48 -165.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.956 0.408 . . . . 0.0 111.602 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.417 ' HB2' ' HG2' ' B' ' 95' ' ' GLU . 73.0 mtt180 -124.98 151.3 68.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.427 179.651 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.5 -15.45 49.7 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.722 2.281 . . . . 0.0 113.291 -179.403 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 94' ' ' TRP . . . . . . . . . . . . . 38.8 p90 -111.42 24.31 12.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.757 0.313 . . . . 0.0 111.597 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . 0.417 ' HG2' ' HB2' ' B' ' 92' ' ' ARG . 11.7 mm-40 -123.14 106.53 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.078 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -84.75 102.56 13.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.687 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 56.42 82.75 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.041 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.83 172.13 13.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 41.2 mt-10 -57.94 109.64 1.94 Allowed Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . 0.45 ' HA ' ' HG3' ' B' ' 91' ' ' ARG . 5.1 Cg_exo -80.46 160.96 22.53 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.083 2.522 . . . . 0.0 112.552 -179.677 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.51 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -99.84 -69.28 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.701 179.598 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.547 ' HB2' ' HB2' ' B' ' 90' ' ' TYR . 19.7 mt-10 -97.26 -174.7 3.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.789 179.492 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 42.9 t -167.15 174.68 8.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -172.57 122.55 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.777 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 87.6 p -132.06 118.58 19.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.624 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 29.6 t -123.71 129.29 50.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.187 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -79.0 139.54 38.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.699 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . 0.517 HD12 ' HG ' ' B' ' 86' ' ' LEU . 65.6 mt -146.7 135.24 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.267 -179.367 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -141.59 149.95 41.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.312 179.264 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.677 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 11.6 t -137.14 153.47 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.908 0.385 . . . . 0.0 111.263 -179.779 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.602 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 19.2 tpt180 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.786 179.466 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 39.7 t . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 121.071 0.462 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.41 HG22 ' N ' ' B' ' 7' ' ' LEU . 3.1 m -80.09 163.76 23.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.002 -179.895 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.486 HD12 HD21 ' B' ' 24' ' ' LEU . 11.7 mt -134.52 -176.59 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.166 0.508 . . . . 0.0 111.311 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -169.65 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.289 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -148.59 157.44 43.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.352 179.509 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.6 98.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.196 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -142.92 -63.83 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.005 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.22 -69.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 -179.745 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.48 ' HB2' ' HB3' ' B' ' 106' ' ' CYS . 0.8 OUTLIER -75.16 123.59 25.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.063 -179.93 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.688 ' H ' ' HD2' ' B' ' 15' ' ' PRO . 7.4 p 179.48 -41.23 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.855 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . 0.688 ' HD2' ' H ' ' B' ' 14' ' ' SER . 88.1 Cg_endo -82.03 17.24 1.58 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.047 1.831 . . . . 0.0 113.164 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.72 ' HG ' ' HB1' ' B' ' 107' ' ' ALA . 3.8 mp 60.44 -83.4 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.366 0.603 . . . . 0.0 111.275 179.642 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' B' ' 16' ' ' LEU . 52.8 mtpt -25.83 118.15 0.07 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.103 -1.408 . . . . 0.0 112.102 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 tp -149.07 -159.62 1.06 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.298 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -155.74 153.36 29.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.432 ' HG3' HG11 ' B' ' 110' ' ' VAL . 97.9 mt-30 -62.12 166.88 4.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.25 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.39 -22.69 5.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.423 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . 0.471 ' O ' HG23 ' B' ' 78' ' ' VAL . 0.0 OUTLIER -71.24 112.19 7.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.87 0.367 . . . . 0.0 111.395 -179.8 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.421 ' HB3' ' HG2' ' B' ' 77' ' ' ARG . 0.2 OUTLIER -101.66 159.52 15.24 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.793 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.507 HD23 ' N ' ' B' ' 25' ' ' VAL . 5.0 tt -153.75 138.96 17.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.156 0.503 . . . . 0.0 111.803 -179.23 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' B' ' 74' ' ' TRP . 61.5 t -117.0 119.66 62.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.383 179.307 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.653 ' HB2' ' HB2' ' B' ' 74' ' ' TRP . 65.1 mt -97.88 170.21 9.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.149 0.5 . . . . 0.0 111.699 -179.151 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.407 ' C ' ' HG ' ' B' ' 28' ' ' LEU . 86.2 m -135.54 94.45 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.219 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.823 ' H ' ' HD2' ' B' ' 29' ' ' PRO . 6.3 mt -146.33 -53.18 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.823 ' HD2' ' H ' ' B' ' 28' ' ' LEU . 27.4 Cg_exo -30.83 137.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 123.201 2.601 . . . . 0.0 113.505 -179.257 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.7 t -145.56 122.01 11.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.855 -179.541 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . 0.441 ' N ' ' HD3' ' B' ' 32' ' ' PRO . 0.6 OUTLIER -136.63 50.93 4.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.398 179.686 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' B' ' 31' ' ' ASN . 92.3 Cg_endo -81.7 105.95 1.6 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.557 2.171 . . . . 0.0 111.602 179.392 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 4.8 m 63.32 9.15 3.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.171 0.51 . . . . 0.0 110.035 -178.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.408 HG22 ' NH1' ' B' ' 37' ' ' ARG . 58.1 p 57.19 163.48 0.03 OUTLIER 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.023 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.87 -28.72 4.58 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.698 -179.475 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -140.78 118.86 11.93 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.846 0.355 . . . . 0.0 110.372 179.587 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.408 ' NH1' HG22 ' B' ' 34' ' ' THR . 2.1 mmm180 -125.29 -164.28 1.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.061 -179.573 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -121.38 153.96 37.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.36 179.204 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -127.47 138.45 52.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.868 0.366 . . . . 0.0 111.128 -179.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' B' ' 43' ' ' PRO . 91.4 mt -94.9 104.73 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.784 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.532 ' HB2' ' HB3' ' B' ' 87' ' ' GLU . 31.2 mmm180 -76.39 -18.41 58.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.58 179.788 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.463 ' O ' ' HA ' ' B' ' 86' ' ' LEU . 4.5 t30 -175.19 86.88 0.31 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.57 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.482 ' HB3' HD13 ' B' ' 40' ' ' LEU . 67.3 Cg_endo -73.41 4.49 3.87 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.578 2.186 . . . . 0.0 112.711 -179.726 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.89 22.46 5.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.923 -179.715 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.77 -11.18 2.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 -179.787 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -62.23 -31.5 72.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.041 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.406 HG11 ' HA3' ' B' ' 82' ' ' GLY . 35.8 m -127.69 -9.17 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.682 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.682 HD22 HG22 ' B' ' 78' ' ' VAL . 13.8 mt -112.63 148.63 34.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -103.33 143.27 32.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 -179.788 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.639 179.708 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.926 0.393 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.3 m 53.66 84.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.342 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . 0.607 ' H ' ' HG2' ' B' ' 29' ' ' PRO . 82.2 m -159.85 131.75 6.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.464 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.653 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 9.7 m95 -137.68 141.03 41.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.438 179.225 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -122.71 112.32 17.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.849 0.357 . . . . 0.0 111.223 -179.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -132.75 114.98 14.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.421 ' HG2' ' HB3' ' B' ' 23' ' ' GLU . 2.9 tmm_? -116.88 129.13 55.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.379 179.685 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.682 HG22 HD22 ' B' ' 48' ' ' LEU . 18.3 t -71.12 126.19 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.264 -179.637 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -130.74 -9.33 3.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.647 -179.747 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -139.75 154.35 47.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.936 0.398 . . . . 0.0 111.332 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.616 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 10.9 p -89.16 165.4 14.5 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . 0.406 ' HA3' HG11 ' B' ' 47' ' ' VAL . . . 134.59 170.1 12.14 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.586 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -99.28 127.33 45.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.339 . . . . 0.0 111.058 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -149.87 175.88 11.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -149.75 111.77 4.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.784 -179.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.463 ' HA ' ' O ' ' B' ' 42' ' ' ASN . 58.1 tp -63.52 152.0 39.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.963 0.411 . . . . 0.0 111.007 -179.694 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.532 ' HB3' ' HB2' ' B' ' 41' ' ' ARG . 67.5 mm-40 -151.68 134.23 15.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.337 -179.159 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 mp -146.26 145.54 30.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.057 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.447 HG23 ' HG2' ' B' ' 91' ' ' ARG . 28.2 m -144.63 150.76 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.618 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 90' ' ' TYR . . . . . 0.664 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 15.4 t80 -94.61 101.57 13.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.977 0.418 . . . . 0.0 111.299 -179.409 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.447 ' HG2' HG23 ' B' ' 89' ' ' VAL . 37.8 ptt180 -169.17 154.23 5.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.569 179.8 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.622 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 80.0 mtt180 -58.8 145.43 78.55 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.517 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 93' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 5.2 Cg_exo -76.95 -25.01 9.35 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.129 2.553 . . . . 0.0 114.014 -178.676 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 94' ' ' TRP . . . . . 0.476 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 28.5 p90 -93.83 14.99 17.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . 0.622 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 38.6 mt-10 -92.17 131.16 37.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 179.622 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -88.89 97.03 10.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 56.4 89.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.06 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.09 143.85 38.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.09 115.89 33.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.47 146.85 28.01 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.511 2.141 . . . . 0.0 112.363 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . 0.462 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -65.7 -59.5 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.606 179.738 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.664 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 19.6 mt-10 -99.43 -175.54 3.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.727 179.549 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 38.4 t -165.32 162.83 19.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -168.59 157.82 8.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.763 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 97.2 p -168.75 151.64 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.006 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 106' ' ' CYS . . . . . 0.48 ' HB3' ' HB2' ' B' ' 13' ' ' CYS . 1.5 m -145.11 164.17 32.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.264 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.72 ' HB1' ' HG ' ' B' ' 16' ' ' LEU . . . -113.98 131.98 56.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.009 -179.567 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 31.3 mt -143.72 111.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.416 . . . . 0.0 111.577 -179.778 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -135.8 98.19 3.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.185 179.51 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.616 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 32.7 t -60.99 -93.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.476 -179.103 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.511 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 40.7 mmt180 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.019 179.696 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.413 ' O ' ' HG ' ' B' ' 24' ' ' LEU . 40.6 t . . . . . 0 N--CA 1.461 0.09 0 CA-C-O 120.789 0.328 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.87 153.67 25.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.209 -179.535 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 64.1 tp -140.27 150.79 44.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.669 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -142.71 -32.18 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.004 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -89.87 178.86 6.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.88 -21.26 4.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.159 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -78.54 -16.83 57.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -86.12 10.31 14.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 36.1 m -93.65 152.32 19.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.928 0.394 . . . . 0.0 111.325 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 16.6 t -174.05 150.18 1.57 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.269 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -55.97 86.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.187 1.924 . . . . 0.0 111.825 179.555 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.429 HD12 ' H ' ' B' ' 17' ' ' LYS . 59.2 tp -100.57 152.25 20.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.49 -179.342 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.429 ' H ' HD12 ' B' ' 16' ' ' LEU . 19.5 mttp -101.79 94.18 5.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.677 179.482 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.548 ' HB2' HG22 ' B' ' 110' ' ' VAL . 10.1 mp -67.66 -168.41 0.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 29.8 m -136.3 145.32 45.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.448 HE21 ' N ' ' B' ' 81' ' ' SER . 85.3 mt-30 -73.92 98.48 3.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.89 -19.42 0.66 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.41 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -99.32 -168.64 1.64 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.74 0.305 . . . . 0.0 110.737 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.608 ' HG2' ' HG2' ' B' ' 77' ' ' ARG . 25.2 mt-10 -145.94 -158.05 0.86 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.871 0.367 . . . . 0.0 111.217 -179.813 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' B' ' 5' ' ' VAL . 8.4 tt -177.98 139.52 0.22 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.585 179.007 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.41 ' N ' HD23 ' B' ' 24' ' ' LEU . 69.0 t -132.78 141.66 44.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.433 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 63.4 tp -118.43 138.73 52.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.708 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 63.7 m -136.21 113.74 10.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.304 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -144.73 150.93 48.45 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.793 179.838 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.568 ' HA ' ' HA ' ' B' ' 71' ' ' GLU . 52.1 Cg_exo -54.79 132.71 53.39 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.618 2.212 . . . . 0.0 112.028 179.885 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 51.0 p -142.63 -28.52 0.58 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.655 -179.595 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 31' ' ' ASN . . . . . 0.626 ' N ' ' HD3' ' B' ' 32' ' ' PRO . 85.2 m-20 -130.92 44.77 1.48 Allowed Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.69 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . 0.626 ' HD3' ' N ' ' B' ' 31' ' ' ASN . 34.5 Cg_exo -56.76 -39.0 94.49 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.02 1.813 . . . . 0.0 111.088 178.685 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 64.9 p -143.6 10.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.353 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 32.2 p 60.1 150.46 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.917 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.19 -18.89 6.48 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.12 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -143.11 115.23 8.36 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.71 0.29 . . . . 0.0 110.836 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -107.96 -167.14 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.973 0.416 . . . . 0.0 111.463 179.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -114.38 158.06 22.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.824 179.466 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -128.65 117.35 21.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.493 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' B' ' 43' ' ' PRO . 96.1 mt -75.67 96.21 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.703 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -80.08 -14.59 58.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.09 179.35 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.586 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 54.2 t-20 -171.3 81.04 0.51 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 43' ' ' PRO . . . . . 0.477 ' HB3' HD13 ' B' ' 40' ' ' LEU . 61.3 Cg_endo -72.47 12.22 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.674 2.249 . . . . 0.0 112.717 -179.671 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.48 ' HA ' ' OD1' ' B' ' 84' ' ' ASP . . . 56.74 22.59 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.19 -8.59 5.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -70.83 -31.12 67.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.094 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.536 HG23 ' HG ' ' B' ' 48' ' ' LEU . 26.1 m -123.18 -44.94 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.66 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.612 HD11 HG21 ' B' ' 108' ' ' ILE . 17.3 mt -88.69 120.11 29.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.973 0.416 . . . . 0.0 110.728 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.489 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . 75.9 tttt -58.72 148.89 27.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.076 -179.852 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . 0.568 ' HA ' ' HA ' ' B' ' 29' ' ' PRO . 47.1 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.812 0.339 . . . . 0.0 110.79 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 39.2 t -137.55 172.19 13.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.752 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 62.0 m -151.64 114.48 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.21 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 11.6 m-90 -115.94 117.72 30.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.688 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -101.9 137.83 39.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -141.22 134.44 29.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 77' ' ' ARG . . . . . 0.608 ' HG2' ' HG2' ' B' ' 23' ' ' GLU . 4.2 tmt_? -118.52 132.02 56.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.233 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.529 HG22 HD22 ' B' ' 48' ' ' LEU . 21.6 t -71.05 115.29 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.169 -179.425 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.489 ' HB2' ' HB2' ' B' ' 49' ' ' LYS . . . -105.1 -23.98 12.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.996 -179.37 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.442 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -160.63 179.33 8.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.135 0.493 . . . . 0.0 111.698 -179.753 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.686 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 5.9 p -85.19 -168.78 2.35 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.013 -179.847 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.71 156.2 11.32 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.562 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . 0.431 ' HB3' HE21 ' B' ' 109' ' ' GLN . 3.4 p30 -95.15 146.67 24.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.762 0.315 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.48 ' OD1' ' HA ' ' B' ' 44' ' ' ALA . 6.0 t70 -165.6 -178.53 4.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.787 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -156.33 113.95 3.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.947 -179.782 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.587 HD22 HD11 ' B' ' 88' ' ' LEU . 3.6 mt -62.02 139.07 58.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.826 179.724 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.586 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 27.4 mt-10 -139.02 116.51 11.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.057 -179.571 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.587 HD11 HD22 ' B' ' 86' ' ' LEU . 5.3 mp -132.66 120.96 22.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.747 179.749 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 23.0 m -116.09 139.29 43.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.141 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 90' ' ' TYR . . . . . 0.54 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 6.2 t80 -86.6 109.55 19.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.016 -179.469 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.458 ' NH2' ' H ' ' B' ' 98' ' ' ALA . 13.4 ptm180 -167.82 157.2 9.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 92' ' ' ARG . . . . . 0.561 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 99.4 mtt180 -64.61 125.19 88.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.521 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 93' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 24.5 Cg_exo -63.87 -26.72 67.19 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.779 2.319 . . . . 0.0 113.215 -179.165 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 94' ' ' TRP . . . . . 0.43 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 13.3 p90 -81.05 18.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.571 0.224 . . . . 0.0 111.484 -179.472 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 95' ' ' GLU . . . . . 0.561 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 46.5 mt-10 -97.25 171.74 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 111.051 179.69 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 96' ' ' LYS . . . . . 0.463 ' HG3' ' OD1' ' B' ' 97' ' ' ASP . 52.7 tptt -128.31 95.76 4.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 97' ' ' ASP . . . . . 0.463 ' OD1' ' HG3' ' B' ' 96' ' ' LYS . 3.0 p30 41.37 86.15 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.607 -179.479 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.458 ' H ' ' NH2' ' B' ' 91' ' ' ARG . . . -139.79 -178.3 5.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.817 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -84.04 132.42 48.24 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.085 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 100' ' ' PRO . . . . . 0.407 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 88.2 Cg_endo -94.77 176.31 1.04 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.215 2.61 . . . . 0.0 112.673 -179.703 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.09 -60.84 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.737 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.54 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 22.4 mt-10 -99.64 -173.6 2.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.566 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 79.0 p -166.32 151.25 8.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.606 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -147.6 134.94 20.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.008 0.432 . . . . 0.0 111.191 -179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 77.5 p -148.69 104.89 3.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.582 179.691 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 8.3 t -114.44 136.05 53.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.094 -179.565 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.51 134.32 34.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . 0.612 HG21 HD11 ' B' ' 48' ' ' LEU . 63.4 mt -144.77 124.27 6.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 -179.389 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 109' ' ' GLN . . . . . 0.431 HE21 ' HB3' ' B' ' 83' ' ' ASP . 51.0 mt-30 -135.75 153.0 51.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.519 179.464 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.686 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 18.8 t -142.55 153.56 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.373 . . . . 0.0 111.169 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 111' ' ' ARG . . . . . 0.601 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 22.4 tpt180 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.838 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 50.0 tpp . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.746 0.308 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -148.95 -3.74 0.3 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.444 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 54.8 m -73.82 117.02 15.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.762 0.315 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 47.7 t -101.98 -14.65 17.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 58.34 -171.73 0.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -122.54 173.79 7.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 66.1 m80 58.37 -172.61 0.1 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.049 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -127.5 147.93 50.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -103.49 162.05 13.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.956 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -78.15 119.11 21.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.6 p -147.05 -21.82 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 80.2 p -93.4 -39.59 10.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.965 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 65.34 74.16 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 73.6 mt -99.45 -2.17 36.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.789 0.328 . . . . 0.0 110.986 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 17.5 m -105.49 148.02 35.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.207 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.26 124.24 14.78 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.471 2.114 . . . . 0.0 112.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -4' ' ' ARG . . . . . 0.489 ' HE ' ' HA ' ' B' ' -4' ' ' ARG . 3.3 mmp_? -122.53 -1.01 9.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.037 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -119.9 31.01 5.49 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.53 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 49.3 m -144.38 152.87 41.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.791 0.329 . . . . 0.0 110.937 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -131.39 127.51 37.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 26.1 mmt -93.75 128.42 39.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . 0.408 ' HB3' ' HD3' ' B' ' 2' ' ' LYS . 65.0 tt0 -149.99 -34.49 0.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.808 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.503 ' N ' ' HD3' ' B' ' 2' ' ' LYS . 1.9 mppt? -95.23 159.47 32.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.701 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.521 ' HD2' HE21 ' B' ' 22' ' ' GLN . 13.8 Cg_exo -66.56 -52.76 0.7 Allowed 'Trans proline' 0 CA--C 1.512 -0.604 0 C-N-CA 123.175 2.584 . . . . 0.0 111.503 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.451 ' O ' HG12 ' B' ' 5' ' ' VAL . 8.6 m -141.2 -45.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 114.072 -1.422 . . . . 0.0 110.963 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.506 ' O ' HG13 ' B' ' 5' ' ' VAL . 0.3 OUTLIER 52.16 8.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 179.56 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.499 HG23 ' O ' ' B' ' 25' ' ' VAL . 0.3 OUTLIER -160.54 158.02 28.43 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.261 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 61.2 tp -165.05 110.19 0.92 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.744 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.503 ' HA ' HD21 ' B' ' 28' ' ' LEU . 4.5 p30 -120.0 -41.07 2.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -64.19 143.53 57.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.48 13.15 30.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -95.11 -38.43 10.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -84.83 45.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.499 ' HB3' ' HA ' ' B' ' 106' ' ' CYS . 94.8 m -75.6 12.8 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.408 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 44.3 m -59.68 160.85 12.95 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.553 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 29.8 Cg_endo -63.59 75.89 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.272 1.981 . . . . 0.0 111.577 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 51.4 tp -61.8 130.4 45.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.278 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.411 ' O ' HD12 ' B' ' 18' ' ' LEU . 4.0 mptp? -83.36 138.65 33.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.799 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.509 ' HB2' HG22 ' B' ' 110' ' ' VAL . 7.9 mp -123.5 -174.23 2.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.004 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 43.6 m -155.58 137.35 14.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.84 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -60.71 100.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 133.68 23.54 0.71 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.72 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.521 HE21 ' HD2' ' B' ' 3' ' ' PRO . 0.0 OUTLIER -130.44 133.77 46.59 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.733 179.809 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.71 -179.58 3.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.405 0.621 . . . . 0.0 111.795 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' B' ' 76' ' ' PHE . 28.5 tp -161.49 81.77 0.6 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.685 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.566 HG13 ' HG2' ' B' ' 75' ' ' ARG . 18.5 t -95.12 87.63 2.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.03 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 76.0 mt -57.53 160.58 4.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.253 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 62.5 m -152.6 108.61 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.76 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.503 HD21 ' HA ' ' B' ' 8' ' ' ASP . 78.2 mt -131.42 148.29 69.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.99 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.05 137.89 22.19 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.47 2.113 . . . . 0.0 112.353 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 75.9 p -159.76 159.17 32.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -125.5 102.23 29.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.51 2.42 5.18 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.504 2.136 . . . . 0.0 112.39 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 7.6 t -91.78 -6.2 52.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 62.3 p -101.0 -66.27 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.333 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.21 -28.52 1.68 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.04 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -84.29 105.15 14.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.907 0.384 . . . . 0.0 110.88 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -103.16 -163.2 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.017 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -109.54 107.9 18.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.639 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.0 133.37 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.982 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.581 HD21 ' HB3' ' B' ' 43' ' ' PRO . 54.6 tp -89.98 109.57 20.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.674 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -93.99 -73.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.081 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.546 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 49.5 t-20 -109.61 92.42 12.06 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.581 ' HB3' HD21 ' B' ' 40' ' ' LEU . 91.9 Cg_endo -79.59 13.61 2.05 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.533 2.155 . . . . 0.0 112.661 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.416 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 56.58 28.62 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.987 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.63 -8.53 2.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.42 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -63.67 -34.57 78.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.207 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.432 HG23 ' HG ' ' B' ' 48' ' ' LEU . 33.6 m -127.87 -36.88 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.562 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.582 HD22 HG22 ' B' ' 78' ' ' VAL . 12.6 mt -88.71 133.96 34.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.829 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -101.66 138.61 38.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.016 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -87.11 148.2 25.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 80.4 mt -75.56 -67.07 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -168.24 161.79 35.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.574 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.32 -35.24 85.2 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.662 2.242 . . . . 0.0 112.342 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -63.82 113.08 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -133.3 11.88 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -116.74 125.44 51.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 56.0 m -76.46 132.7 39.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -77.7 -35.12 52.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 54.3 m -88.49 -178.73 5.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -141.3 119.59 12.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -118.59 -65.07 1.21 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.834 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -94.77 10.44 35.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 77.9 p 49.11 91.83 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.447 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.23 72.57 2.61 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.114 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 63.7 mt -139.58 98.53 3.51 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.176 0.512 . . . . 0.0 110.734 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.7 p -77.05 -23.5 14.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.59 36.03 0.47 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.513 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 72.5 p -155.13 1.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.07 -133.14 11.57 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.423 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.33 165.58 46.38 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.336 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -143.92 175.21 10.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.359 . . . . 0.0 110.78 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 81.3 p -95.12 128.91 42.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 67.2 m -141.85 110.6 6.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.971 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 13.8 m-90 -108.87 113.29 26.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.566 ' HG2' HG13 ' B' ' 25' ' ' VAL . 96.4 mtt180 -100.29 115.76 30.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.55 ' HB2' ' HB3' ' B' ' 24' ' ' LEU . 80.3 m-85 -117.91 166.47 12.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -147.98 133.31 18.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.56 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.582 HG22 HD22 ' B' ' 48' ' ' LEU . 48.2 t -79.44 141.34 15.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.347 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -131.58 -41.79 1.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.178 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -131.66 166.82 20.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.696 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 73.0 m -93.7 -170.18 2.28 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.162 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.23 161.47 11.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.446 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -81.44 153.4 26.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.771 0.319 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -171.16 178.53 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -150.82 132.35 14.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.447 ' HG ' HD11 ' B' ' 88' ' ' LEU . 10.5 tp -92.31 136.82 32.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.588 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.546 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 10.6 mt-10 -138.01 123.97 20.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.952 0.406 . . . . 0.0 111.412 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.447 HD11 ' HG ' ' B' ' 86' ' ' LEU . 5.0 mp -140.64 133.17 28.6 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.506 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 28.1 m -116.44 167.96 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.196 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' TYR . . . . . 0.446 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 42.9 t80 -111.62 101.15 9.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.427 ' HB3' ' HA ' ' B' ' 100' ' ' PRO . 37.7 ptt180 -166.34 173.34 10.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.49 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 99.3 mtt180 -66.42 118.83 57.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.528 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 39.8 Cg_exo -61.61 -25.16 78.89 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.759 2.306 . . . . 0.0 113.124 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' TRP . . . . . 0.424 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 13.7 p90 -81.35 4.84 19.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.672 0.272 . . . . 0.0 111.517 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.49 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 39.7 mt-10 -100.11 -179.17 4.06 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -143.54 115.26 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.048 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 56.49 26.6 11.09 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.7 -172.85 0.29 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -101.13 99.98 12.11 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . 0.427 ' HA ' ' HB3' ' B' ' 91' ' ' ARG . 73.6 Cg_endo -76.11 138.46 20.47 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.486 2.124 . . . . 0.0 112.616 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.48 -61.44 1.83 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.771 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.446 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 19.8 mt-10 -96.61 -174.16 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.54 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 44.9 t -163.67 172.22 14.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.286 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -169.09 141.25 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 78.6 p -173.07 111.31 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 111.068 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' CYS . . . . . 0.499 ' HA ' ' HB3' ' B' ' 13' ' ' CYS . 56.6 m -124.35 164.9 18.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.01 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.14 155.12 18.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.188 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 78.8 mt -147.16 140.97 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.633 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -147.24 121.89 9.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.645 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.696 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 17.1 t -103.89 154.13 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.024 0.44 . . . . 0.0 111.188 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.148 -0.929 . . . . 0.0 110.905 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.754 0.311 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 89.31 179.0 45.47 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.499 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 78.9 p -90.95 109.94 21.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.92 0.39 . . . . 0.0 110.822 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 79.2 p -162.73 146.94 11.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -93.74 129.3 40.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.764 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -121.26 130.87 53.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -85.26 130.56 34.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -142.86 -38.94 0.34 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.8 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -91.7 146.29 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -128.07 140.32 52.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.5 p -85.55 -16.79 38.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 53.2 m -85.77 159.51 19.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 119.95 -81.92 0.34 Allowed Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.52 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 72.1 mt 58.14 -172.28 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.762 0.315 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . 0.43 HG13 ' O ' ' B' ' -6' ' ' VAL . 2.9 p -134.83 91.69 20.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.93 -175.73 0.31 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -4' ' ' ARG . . . . . 0.476 ' HD3' ' H ' ' B' ' -4' ' ' ARG . 0.0 OUTLIER -137.93 144.83 41.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -121.56 120.16 4.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.633 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 47.6 t -110.0 -59.15 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -154.5 -30.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.784 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 4.0 mpp? 59.0 99.51 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.215 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -148.48 112.06 5.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.869 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' B' ' 22' ' ' GLN . 70.7 mmtt -133.88 150.22 73.93 Favored Pre-proline 0 CA--C 1.518 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.564 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.455 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 77.9 Cg_exo -53.55 -29.44 49.94 Favored 'Trans proline' 0 CA--C 1.506 -0.888 0 C-N-CA 122.513 2.142 . . . . 0.0 109.906 178.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.546 HG22 ' HB2' ' B' ' 23' ' ' GLU . 6.1 t -156.14 77.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 113.839 -1.528 . . . . 0.0 110.487 178.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 98.6 t -55.16 103.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.692 0.282 . . . . 0.0 110.467 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -77.11 161.24 28.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.263 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 62.6 tp -151.49 147.41 26.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -145.15 -29.32 0.45 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -128.68 128.92 45.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.1 96.52 0.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -134.65 -55.9 0.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.975 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -76.91 -8.96 58.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.666 ' HB3' ' HA ' ' B' ' 106' ' ' CYS . 77.5 m -79.46 103.6 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.524 ' HB3' ' HD3' ' B' ' 15' ' ' PRO . 44.0 t -179.12 -49.15 0.0 OUTLIER Pre-proline 0 CA--C 1.531 0.246 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.726 ' C ' HD23 ' B' ' 16' ' ' LEU . 95.0 Cg_endo -83.8 4.15 7.18 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.339 2.026 . . . . 0.0 113.968 -178.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.726 HD23 ' C ' ' B' ' 15' ' ' PRO . 0.4 OUTLIER 39.53 19.8 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.542 ' HG2' ' HG2' ' B' ' 15' ' ' PRO . 43.6 pttt -78.85 105.08 9.91 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.508 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -126.83 -168.03 1.81 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.023 0.44 . . . . 0.0 111.852 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 82.6 m -165.76 142.92 5.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.83 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.622 ' HG2' HG12 ' B' ' 78' ' ' VAL . 94.7 mt-30 -66.29 131.05 45.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.825 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.494 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 117.85 18.44 5.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.482 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' B' ' 2' ' ' LYS . 18.2 mt-30 -131.33 145.99 52.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.699 0.285 . . . . 0.0 110.586 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.596 ' HG2' ' HB2' ' B' ' 77' ' ' ARG . 43.8 mt-10 -117.88 -175.64 2.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.139 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.459 HD23 ' N ' ' B' ' 25' ' ' VAL . 7.2 tt -164.7 140.86 5.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.072 0.463 . . . . 0.0 111.457 179.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.459 ' N ' HD23 ' B' ' 24' ' ' LEU . 58.5 t -134.35 94.27 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.545 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.1 tp -81.29 146.25 30.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.184 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.8 m -154.68 102.82 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 88.6 mt -106.37 148.84 37.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -79.51 132.69 10.15 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.589 2.192 . . . . 0.0 112.361 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.1 p -139.91 -179.86 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.908 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . 0.415 ' ND2' HG23 ' B' ' 34' ' ' THR . 51.6 t30 -141.28 96.45 7.1 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.791 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -58.31 -19.42 42.73 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.502 2.135 . . . . 0.0 112.268 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 55.9 m -59.79 -33.87 72.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.415 HG23 ' ND2' ' B' ' 31' ' ' ASN . 71.6 p -81.21 -63.65 1.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.219 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.13 -24.55 3.25 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.047 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -77.04 98.59 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.933 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.427 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 0.0 OUTLIER -100.24 -160.25 0.79 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.037 179.286 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.427 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 90.3 m95 -114.9 130.79 56.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.809 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -111.98 141.84 45.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -92.05 104.69 17.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.987 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -84.73 -14.57 47.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.772 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.597 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 55.4 t-20 -169.32 85.87 0.62 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.721 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -78.08 11.69 2.25 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.584 2.189 . . . . 0.0 112.674 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.415 ' C ' ' H ' ' B' ' 46' ' ' SER . . . 55.18 35.88 25.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.29 11.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.564 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.415 ' H ' ' C ' ' B' ' 44' ' ' ALA . 42.9 t -92.94 -24.5 18.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.208 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 32.8 m -136.31 -35.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.717 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.512 HD11 HG21 ' B' ' 108' ' ' ILE . 85.4 mt -86.92 147.78 25.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.991 0.424 . . . . 0.0 111.182 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.477 ' O ' HD23 ' B' ' 51' ' ' LEU . 0.3 OUTLIER -124.28 -162.15 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.391 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.494 ' HB2' ' HB3' ' B' ' 77' ' ' ARG . 6.9 mmt180 66.9 8.85 6.37 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.725 0.298 . . . . 0.0 111.159 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.477 HD23 ' O ' ' B' ' 49' ' ' LYS . 0.2 OUTLIER -64.03 149.22 47.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.769 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.06 157.48 27.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.78 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -66.77 -165.72 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.785 2.323 . . . . 0.0 112.263 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.71 158.72 31.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 47.9 t -130.67 110.39 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.17 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -141.35 -68.55 0.39 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.837 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.433 ' H ' ' H ' ' B' ' 58' ' ' ASN . 46.5 t -163.32 -5.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.433 ' H ' ' H ' ' B' ' 57' ' ' SER . 3.4 p-10 -83.25 -26.95 30.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.966 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 53.5 m -92.94 -69.55 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.419 ' HG2' ' HA3' ' B' ' 64' ' ' GLY . 45.5 mt-10 58.87 98.8 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -89.43 -66.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -102.23 -29.59 11.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 40.7 t -163.79 -21.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.782 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.419 ' HA3' ' HG2' ' B' ' 60' ' ' GLU . . . 61.55 40.66 99.02 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.196 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 57.0 mt -138.84 97.48 3.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.165 0.507 . . . . 0.0 110.56 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -110.44 -28.47 2.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.963 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.09 -141.11 3.58 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.377 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 75.3 p -88.27 -25.33 22.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.339 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 130.67 47.05 0.14 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.558 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -169.65 41.15 0.21 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.585 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -141.04 111.32 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 45.1 t -73.69 166.87 22.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 65.9 m -144.44 125.35 14.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 111.168 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 7.9 m-90 -125.44 137.7 54.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.698 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.444 ' HG2' HG22 ' B' ' 25' ' ' VAL . 94.4 mtt180 -131.67 147.03 52.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' B' ' 49' ' ' LYS . 1.1 m-85 -148.64 173.28 13.36 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.487 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.596 ' HB2' ' HG2' ' B' ' 23' ' ' GLU . 6.3 tpt180 -163.94 130.02 3.08 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.676 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.622 HG12 ' HG2' ' B' ' 20' ' ' GLN . 23.2 t -66.43 122.1 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.577 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.33 0.67 1.72 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.837 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -153.22 155.62 36.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.933 0.397 . . . . 0.0 111.586 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.719 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 12.1 p -87.86 164.09 16.07 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.877 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 131.2 161.94 10.41 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.677 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.405 ' HA ' ' HG3' ' B' ' 109' ' ' GLN . 3.6 p30 -93.9 135.63 35.03 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.827 0.346 . . . . 0.0 111.039 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -152.58 179.66 8.4 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.107 0.48 . . . . 0.0 111.225 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -160.81 111.77 1.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.78 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.616 HD22 HD11 ' B' ' 88' ' ' LEU . 2.1 mt -62.04 140.27 58.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.742 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.597 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 29.0 mt-10 -138.85 116.35 11.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.221 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.616 HD11 HD22 ' B' ' 86' ' ' LEU . 5.0 mp -129.71 108.94 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.678 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 33.2 m -98.62 171.02 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 111.266 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' TYR . . . . . 0.543 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 37.0 t80 -122.0 101.98 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.93 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -164.47 177.06 8.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.484 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 98.9 mtt180 -65.15 123.11 83.15 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.633 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 3.0 Cg_exo -73.34 -11.49 24.78 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.89 2.393 . . . . 0.0 113.119 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' TRP . . . . . 0.484 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 34.5 p90 -99.32 15.16 27.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.35 . . . . 0.0 111.043 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -117.74 145.27 44.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.043 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -91.94 95.05 9.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.6 t70 57.51 95.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.41 171.25 14.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.445 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 39.6 mt-10 -68.4 112.77 12.02 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 99' ' ' GLU . 7.8 Cg_endo -88.61 139.24 3.97 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.148 2.566 . . . . 0.0 112.365 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.448 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -69.58 -60.37 2.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.668 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.543 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 19.3 mt-10 -101.18 -175.52 2.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.673 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 33.7 t -166.04 161.45 17.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.946 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -159.01 150.1 20.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.823 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 79.9 p -163.88 147.81 10.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' CYS . . . . . 0.666 ' HA ' ' HB3' ' B' ' 13' ' ' CYS . 8.8 m -142.49 139.51 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.448 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' B' ' 16' ' ' LEU . . . -84.39 127.97 34.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.042 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . 0.512 HG21 HD11 ' B' ' 48' ' ' LEU . 25.4 mt -143.57 134.02 21.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.946 0.403 . . . . 0.0 111.513 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . 0.497 ' HB2' HD12 ' B' ' 16' ' ' LEU . 26.6 tt0 -160.52 144.72 14.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.873 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.719 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 5.1 t -118.0 164.88 13.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.685 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.577 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 5.2 mpt_? . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.179 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 57.9 ttp . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.838 0.352 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -163.26 159.79 32.35 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.51 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 54.4 m -96.98 -177.86 4.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.779 0.323 . . . . 0.0 110.94 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 40.7 t -75.9 169.3 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 63.1 m80 -64.68 148.72 50.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -102.61 -24.01 13.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.712 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -133.18 123.98 26.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.78 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -142.23 124.35 15.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.768 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -90.51 145.42 24.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 64.7 m80 -89.55 139.95 30.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 52.2 m -94.34 -29.46 15.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.2 t -144.43 -27.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 68.3 -150.82 51.31 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.451 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 55.0 tp -91.6 112.15 23.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.918 0.389 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 93.4 t -130.17 105.55 16.4 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.967 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.64 137.78 66.77 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.513 2.142 . . . . 0.0 112.428 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -98.07 -54.73 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 143.64 137.97 3.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.54 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 47.1 t -89.05 138.78 31.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -101.2 143.35 31.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.442 ' HG3' ' HG2' ' B' ' 1' ' ' GLN . 49.7 tpp -137.88 158.7 43.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.66 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . 0.442 ' HG2' ' HG3' ' B' ' 0' ' ' MET . 8.0 mm100 61.77 102.13 0.03 OUTLIER 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.639 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.501 ' HB2' HG22 ' B' ' 5' ' ' VAL . 57.2 mtpt -118.97 143.69 34.33 Favored Pre-proline 0 CA--C 1.518 -0.269 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 51.7 Cg_exo -56.6 -23.88 50.96 Favored 'Trans proline' 0 CA--C 1.508 -0.795 0 C-N-CA 122.487 2.125 . . . . 0.0 110.225 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.635 HG12 HG22 ' B' ' 25' ' ' VAL . 15.4 t -153.84 72.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 114.042 -1.435 . . . . 0.0 110.119 178.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.54 ' O ' HD12 ' B' ' 24' ' ' LEU . 84.9 t -49.3 107.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.736 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.653 HG23 HG23 ' B' ' 25' ' ' VAL . 5.0 m -83.68 164.47 19.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.068 0.461 . . . . 0.0 111.629 -179.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.473 ' N ' HG22 ' B' ' 6' ' ' THR . 59.7 mt -141.09 -176.19 4.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.444 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -166.46 -26.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.302 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -142.75 162.02 36.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.009 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.02 -38.53 20.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.482 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -56.72 -30.59 63.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.62 -25.41 41.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.974 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 90.4 m -64.6 131.02 45.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.506 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 20.0 m -147.35 161.43 36.18 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.423 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 19.0 Cg_endo -59.12 82.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.334 2.023 . . . . 0.0 111.85 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 42.7 tp -81.13 163.4 23.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.116 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.497 ' HD3' ' H ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -109.27 81.36 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.798 179.779 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 mp -71.8 -170.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.284 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.8 t -171.88 155.03 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.928 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.531 HE21 ' HA ' ' B' ' 80' ' ' ALA . 94.2 mt-30 -54.59 105.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.727 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 141.55 -16.1 2.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.326 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -100.3 165.83 11.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.663 0.268 . . . . 0.0 110.431 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.606 ' HB2' HG22 ' B' ' 4' ' ' VAL . 44.8 mt-10 -141.71 -161.23 1.19 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.835 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.54 HD12 ' O ' ' B' ' 5' ' ' VAL . 1.7 tp -159.85 151.4 19.95 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.281 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.653 HG23 HG23 ' B' ' 6' ' ' THR . 0.8 OUTLIER -141.87 89.26 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.629 178.805 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.43 ' HB2' ' HB2' ' B' ' 74' ' ' TRP . 97.8 mt -65.16 146.8 54.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.6 m -142.65 127.07 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.811 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.616 ' N ' HD13 ' B' ' 28' ' ' LEU . 0.0 OUTLIER -149.93 163.8 23.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.957 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -82.93 119.24 2.83 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 123.038 2.492 . . . . 0.0 112.018 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 80.3 p -161.1 -173.98 4.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.998 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . 0.455 ' HB3' ' HD2' ' B' ' 32' ' ' PRO . 77.4 m-20 -130.49 159.03 72.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.549 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' B' ' 31' ' ' ASN . 43.0 Cg_endo -65.13 -150.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.583 2.189 . . . . 0.0 112.191 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . 0.402 ' H ' ' HB2' ' B' ' 32' ' ' PRO . 73.9 p -56.26 83.84 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 111.265 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.451 ' N ' ' O ' ' B' ' 32' ' ' PRO . 56.3 p -120.61 -62.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.154 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.36 -60.44 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.645 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -93.38 114.37 26.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 111.273 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -113.51 -159.64 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.22 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -121.05 122.11 39.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.917 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -100.12 150.24 22.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.733 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 97.8 mt -95.52 100.67 12.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.191 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.447 HH11 ' NH2' ' B' ' 91' ' ' ARG . 24.2 mmm180 -71.86 -25.14 61.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.398 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.595 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 59.8 t30 -169.77 91.62 0.53 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.572 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -73.68 14.63 0.62 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.592 2.195 . . . . 0.0 112.746 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.416 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 54.18 27.52 7.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.936 0.398 . . . . 0.0 111.085 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.63 -11.51 3.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.403 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 44.9 t -62.18 -37.0 83.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.042 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.463 HG23 ' HG ' ' B' ' 48' ' ' LEU . 27.9 m -125.87 -42.26 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.474 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.547 HD22 HG22 ' B' ' 78' ' ' VAL . 15.7 mt -83.53 162.45 20.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.628 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -121.25 144.67 48.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -80.51 120.17 24.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.7 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 20.9 tp -55.06 -65.65 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.017 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -153.22 -179.61 28.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.699 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -78.6 -46.59 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.752 2.302 . . . . 0.0 112.575 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -116.54 175.7 5.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.934 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.465 HG21 ' HB ' ' B' ' 73' ' ' THR . 27.4 m -135.71 13.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.137 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -100.84 6.03 43.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -128.24 -12.85 5.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -69.53 172.65 6.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 53.3 m -65.34 -30.21 71.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 60.16 108.23 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.203 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -66.88 -69.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.763 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -92.65 141.58 28.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.613 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 72.0 p -62.36 96.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.09 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.8 69.86 3.02 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.085 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 40.4 mt -136.82 96.76 3.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.13 0.49 . . . . 0.0 110.687 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 7.6 p -83.59 -28.92 7.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.046 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -161.27 -114.57 0.34 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.536 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 75.6 p -89.26 -24.62 22.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.357 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 134.73 171.15 12.4 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.52 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.64 41.23 0.95 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.431 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -124.3 126.41 46.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.772 0.32 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 49.4 m -87.96 112.29 22.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.465 ' HB ' HG21 ' B' ' 55' ' ' VAL . 61.4 m -112.56 121.41 44.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.43 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 78.4 m95 -101.6 113.86 27.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.825 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.61 ' HG2' HG12 ' B' ' 25' ' ' VAL . 72.9 mtp180 -101.43 127.72 47.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -135.24 141.49 45.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.482 ' HA ' ' HG2' ' B' ' 23' ' ' GLU . 8.5 tpp180 -121.85 136.19 54.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.562 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.547 HG22 HD22 ' B' ' 48' ' ' LEU . 62.1 t -75.65 128.3 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.829 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -112.84 -39.64 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.654 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.531 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -135.48 156.99 48.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.803 0.335 . . . . 0.0 111.222 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.463 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 28.8 p -73.97 -174.12 1.77 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.89 156.39 13.4 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.495 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.481 ' HA ' ' HA ' ' B' ' 109' ' ' GLN . 3.8 p30 -90.68 147.05 23.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.804 0.335 . . . . 0.0 111.247 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -162.61 -172.57 3.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.591 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -156.0 119.1 4.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.161 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.477 ' HG ' HD12 ' B' ' 108' ' ' ILE . 11.9 mt -70.44 140.45 51.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.746 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.595 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 18.6 mt-10 -136.04 118.92 16.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.5 mp -131.16 153.4 49.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.607 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.449 HG22 ' N ' ' B' ' 90' ' ' TYR . 8.5 p -141.81 156.39 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.065 0.459 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' TYR . . . . . 0.48 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 61.8 t80 -105.68 109.66 21.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.887 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.463 ' HD3' ' HB3' ' B' ' 100' ' ' PRO . 38.3 ptt180 -169.51 176.97 4.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.415 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 97.4 mtt180 -61.63 127.7 89.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.377 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.97 -23.0 19.02 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.553 2.168 . . . . 0.0 113.377 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' TRP . . . . . 0.415 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 6.5 p90 -80.33 -13.34 59.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.655 0.264 . . . . 0.0 111.383 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -84.11 145.35 28.47 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.753 0.311 . . . . 0.0 111.067 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -92.72 -45.72 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.731 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -152.89 102.19 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.762 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.69 -170.38 3.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -89.96 108.11 23.71 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . 0.463 ' HB3' ' HD3' ' B' ' 91' ' ' ARG . 70.7 Cg_endo -74.39 -175.95 2.49 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.587 2.191 . . . . 0.0 112.361 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -112.59 -64.49 1.29 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.228 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.48 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 5.3 mm-40 -100.68 -163.78 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.267 0.556 . . . . 0.0 112.051 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 79.2 p -169.34 155.94 6.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.612 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -163.31 116.96 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.909 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 80.0 p -134.09 150.84 51.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 71.8 m -146.5 151.58 37.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -94.68 140.07 30.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.27 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . 0.502 HG21 HD11 ' B' ' 48' ' ' LEU . 95.9 mt -145.53 117.64 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.037 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' B' ' 83' ' ' ASP . 25.8 mt-30 -126.88 141.31 51.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.745 HG12 ' H ' ' B' ' 111' ' ' ARG . 2.2 t -120.23 178.58 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.384 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.745 ' H ' HG12 ' B' ' 110' ' ' VAL . 33.3 mmt180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.162 -0.923 . . . . 0.0 111.774 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 52.3 ttm . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.914 0.388 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 153.84 -33.92 0.74 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.44 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 47.3 t -140.27 154.47 46.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 53.7 m -145.79 4.95 1.01 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -140.53 142.76 35.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -150.84 146.09 26.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.712 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -75.51 97.68 3.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.994 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 64.31 135.7 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.338 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -89.81 144.51 25.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 47.6 t60 60.69 102.69 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 53.6 m -142.49 -51.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.8 t -92.04 143.04 26.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 76.65 136.14 0.69 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.529 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 90.1 mt -73.89 -69.67 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 57.9 t -134.09 87.5 34.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -61.49 -47.49 11.53 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.573 2.182 . . . . 0.0 112.132 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -62.95 132.46 52.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -89.03 -172.2 46.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.443 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 34.9 t 59.34 17.36 5.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.931 0.396 . . . . 0.0 111.093 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -78.42 -50.21 12.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.469 ' HG3' ' HG3' ' B' ' 1' ' ' GLN . 15.9 tpt -81.95 -65.71 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.83 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . 0.596 ' HB2' HE22 ' B' ' 22' ' ' GLN . 54.5 mt-30 -118.38 -156.25 0.64 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.697 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' B' ' 22' ' ' GLN . 0.0 OUTLIER -127.04 158.51 68.67 Favored Pre-proline 0 C--N 1.332 -0.165 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.258 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.586 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 81.5 Cg_exo -51.06 -19.32 5.7 Favored 'Trans proline' 0 CA--C 1.507 -0.856 0 C-N-CA 123.208 2.605 . . . . 0.0 110.827 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.542 ' HA ' ' O ' ' B' ' 23' ' ' GLU . 2.3 p -165.42 92.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 114.037 -1.438 . . . . 0.0 110.946 178.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.652 HG23 HD12 ' B' ' 24' ' ' LEU . 25.4 m -86.21 172.19 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.122 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.05 170.15 10.46 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.987 0.422 . . . . 0.0 111.818 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 64.6 tp -164.02 148.95 10.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.689 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -142.57 -48.33 0.34 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.045 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -80.51 -179.7 7.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.36 -1.95 3.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.26 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -82.54 -32.0 28.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -84.88 -0.58 54.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 31.8 m -62.31 149.65 41.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.047 0.451 . . . . 0.0 111.266 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 34.2 t -170.58 147.74 2.59 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.275 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.54 83.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.345 2.03 . . . . 0.0 111.893 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' B' ' 109' ' ' GLN . 13.8 mt -76.3 178.5 6.44 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.55 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -131.1 90.67 2.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.424 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.535 ' HB2' HG22 ' B' ' 110' ' ' VAL . 10.3 mp -70.59 -170.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.975 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.0 m -146.59 138.66 24.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.048 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -58.73 97.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.802 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.448 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 153.07 -39.4 0.72 Allowed Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.005 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.596 HE22 ' HB2' ' B' ' 1' ' ' GLN . 18.4 mt-30 -86.7 -167.92 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.711 ' HB2' ' HA ' ' B' ' 77' ' ' ARG . 3.3 pt-20 -173.49 -164.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.391 -0.524 . . . . 0.0 112.133 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.652 HD12 HG23 ' B' ' 5' ' ' VAL . 0.2 OUTLIER -156.37 150.98 25.78 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.231 179.526 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.651 ' N ' ' HG ' ' B' ' 24' ' ' LEU . 73.5 t -129.06 115.0 34.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.588 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.469 ' HG ' HD21 ' B' ' 24' ' ' LEU . 90.5 mt -88.09 157.82 18.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.283 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 87.3 m -158.35 107.51 2.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . 86.9 mt -126.99 142.48 43.8 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.944 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 28' ' ' LEU . 21.0 Cg_exo -65.54 148.29 87.41 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.671 2.247 . . . . 0.0 112.262 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 63.1 p -169.47 117.56 0.62 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -87.96 113.59 55.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.18 -0.53 8.73 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.45 2.1 . . . . 0.0 112.415 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 56.1 m -72.85 -29.93 63.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 51.9 p -82.7 -67.42 0.79 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.308 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.1 -32.6 1.88 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.172 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -70.56 98.21 1.44 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.996 0.427 . . . . 0.0 110.878 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.452 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 14.9 mmm180 -93.84 -160.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.111 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.452 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 95.4 m95 -115.13 124.23 50.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.875 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -109.95 134.12 52.44 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.433 HD23 ' HG ' ' B' ' 88' ' ' LEU . 96.0 mt -83.43 100.2 10.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -74.29 -20.82 60.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.553 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.571 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 61.5 t30 -168.65 92.6 0.6 Allowed Pre-proline 0 CA--C 1.529 0.168 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.739 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -78.56 12.42 2.16 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.644 2.229 . . . . 0.0 112.806 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.525 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 53.52 32.5 14.32 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.812 0.339 . . . . 0.0 110.737 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.26 -17.34 1.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.896 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.421 ' HB3' ' OD1' ' B' ' 84' ' ' ASP . 39.4 t -59.05 -23.93 62.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.394 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 m -137.68 -27.13 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.525 HD12 ' HB3' ' B' ' 44' ' ' ALA . 79.7 mt -94.51 155.4 16.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.817 0.342 . . . . 0.0 110.999 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.509 ' HA ' ' HE3' ' B' ' 49' ' ' LYS . 0.2 OUTLIER -135.4 -155.96 0.68 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.551 179.842 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.595 ' HG3' ' HB2' ' B' ' 77' ' ' ARG . 3.4 mmp_? 59.57 13.86 3.6 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.065 0.459 . . . . 0.0 111.083 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.472 ' H ' ' HG ' ' B' ' 51' ' ' LEU . 1.2 mt -74.87 106.72 6.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.891 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.99 161.13 13.91 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.65 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -86.19 -54.64 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.943 2.429 . . . . 0.0 112.793 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -87.71 170.81 10.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.141 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 29.5 m -133.24 11.24 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.259 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -144.51 139.76 28.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.0 t -155.52 -79.61 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.455 ' H ' ' H ' ' B' ' 59' ' ' SER . 3.5 p-10 -171.78 -8.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.955 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . 0.455 ' H ' ' H ' ' B' ' 58' ' ' ASN . 54.4 m -86.94 12.63 10.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -62.66 98.55 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -85.75 -71.32 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.827 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -84.24 132.49 34.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.616 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 51.6 m -62.19 95.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.06 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.402 ' O ' HD23 ' B' ' 65' ' ' LEU . . . -93.72 68.68 1.5 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.051 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.402 HD23 ' O ' ' B' ' 64' ' ' GLY . 22.2 mt -132.28 94.59 3.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.139 0.495 . . . . 0.0 110.721 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.3 p -98.61 145.58 9.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.18 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.96 -132.95 11.34 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 74.8 p -90.33 -30.42 17.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.745 0.307 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 153.07 133.15 1.84 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.97 128.63 0.16 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.24 -178.12 7.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 111.079 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 58.0 m -99.77 143.64 29.76 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.121 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 59.3 m -146.3 121.99 10.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.404 ' HB3' ' CE1' ' B' ' 76' ' ' PHE . 7.9 m-90 -125.08 153.67 42.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.444 ' HD2' ' HB3' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -150.16 116.76 5.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.77 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.549 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 0.2 OUTLIER -121.05 145.77 47.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.025 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.711 ' HA ' ' HB2' ' B' ' 23' ' ' GLU . 2.9 tmt_? -114.88 138.71 50.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.742 0.306 . . . . 0.0 110.936 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.535 ' N ' ' HD3' ' B' ' 77' ' ' ARG . 61.5 t -61.98 108.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.063 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.446 ' HB2' ' HB2' ' B' ' 49' ' ' LYS . . . -85.89 -59.01 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -142.09 -177.36 5.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.117 0.484 . . . . 0.0 111.42 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.572 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 58.5 m -84.48 174.18 10.25 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.981 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.2 158.49 9.82 Favored Glycine 0 N--CA 1.453 -0.227 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.449 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -94.59 132.06 39.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 111.268 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.421 ' OD1' ' HB3' ' B' ' 46' ' ' SER . 4.0 m-20 -148.12 -178.33 6.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -156.39 118.77 4.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.803 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.56 ' HG ' HD12 ' B' ' 108' ' ' ILE . 17.0 mt -67.56 142.29 56.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.996 0.427 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.571 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 25.5 mt-10 -135.68 106.88 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.663 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.466 ' N ' HD12 ' B' ' 88' ' ' LEU . 5.4 mp -119.17 115.3 23.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.767 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 35.1 m -107.7 138.86 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' TYR . . . . . 0.537 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 56.2 t80 -87.12 101.18 13.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.82 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.544 ' HD3' ' HG3' ' B' ' 100' ' ' PRO . 40.3 ptt180 -163.89 -175.6 4.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -78.61 114.05 39.98 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.574 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.48 -29.22 45.15 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.623 2.215 . . . . 0.0 113.171 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' TRP . . . . . . . . . . . . . 7.9 p90 -71.03 -5.33 30.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.581 0.229 . . . . 0.0 111.311 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -96.6 160.85 14.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 0.0 110.956 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -91.16 -58.28 2.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -140.81 108.05 5.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.51 146.18 31.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.026 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.424 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 7.0 pt-20 -59.91 111.59 4.13 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . 0.544 ' HG3' ' HD3' ' B' ' 91' ' ' ARG . 3.0 Cg_exo -74.22 139.86 27.05 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.666 2.244 . . . . 0.0 112.206 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.15 -58.95 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.719 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.537 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 5.2 mm-40 -104.23 -161.89 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.388 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . 0.413 ' H ' ' HB3' ' B' ' 102' ' ' GLU . 80.2 p -171.83 153.53 3.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.975 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -153.36 143.3 22.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.981 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 80.0 p -159.88 137.86 10.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.622 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 8.4 t -142.81 138.95 30.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.997 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.29 133.08 38.9 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.151 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . 0.56 HD12 ' HG ' ' B' ' 86' ' ' LEU . 96.3 mt -146.04 106.02 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.252 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' B' ' 16' ' ' LEU . 82.7 mt-30 -119.63 170.85 8.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.757 0.313 . . . . 0.0 110.779 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.572 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 21.7 t -141.72 155.61 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.736 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.433 ' N ' HG12 ' B' ' 110' ' ' VAL . 24.0 tpt180 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.395 -0.812 . . . . 0.0 110.983 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.848 0.356 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -152.5 -110.66 0.45 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.594 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 51.9 m -93.3 155.55 17.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 80.0 p -144.59 -12.6 0.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -105.39 -35.05 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -107.02 118.34 36.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -129.98 178.97 6.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -95.06 4.07 54.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -80.8 108.29 14.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -136.95 177.08 8.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 54.0 m -91.67 175.57 6.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.77 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 54.4 m -69.32 99.26 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 71.64 150.99 0.96 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.636 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 83.6 mt -80.99 -56.43 4.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 7.1 p -93.11 134.68 26.79 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.002 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.43 -48.5 21.61 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.399 2.066 . . . . 0.0 112.327 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -161.21 154.18 21.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -151.46 168.16 30.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.424 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 52.2 m -92.05 117.84 30.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.779 0.324 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 59.24 96.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 52.7 ttm -163.8 115.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.771 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . 0.467 ' HA ' ' HG2' ' B' ' 22' ' ' GLN . 26.4 mt-30 -68.8 108.35 3.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.534 ' H ' ' HB3' ' B' ' 22' ' ' GLN . 29.8 mmmt -86.23 137.83 34.73 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.091 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.417 ' O ' ' HB ' ' B' ' 4' ' ' VAL . 31.2 Cg_exo -60.94 -26.0 82.41 Favored 'Trans proline' 0 CA--C 1.513 -0.552 0 C-N-CA 122.461 2.107 . . . . 0.0 110.504 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.511 ' O ' HG13 ' B' ' 4' ' ' VAL . 7.5 p 170.55 73.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 113.727 -1.578 . . . . 0.0 110.607 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.435 ' HB ' ' HG3' ' B' ' 2' ' ' LYS . 2.6 p -57.92 105.81 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.626 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 m -74.26 162.54 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.659 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 60.8 tp -161.97 150.72 15.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.511 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -138.97 -42.05 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.014 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -91.88 152.69 19.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.536 ' C ' ' H ' ' B' ' 12' ' ' ASP . . . -85.84 -176.78 6.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.248 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 t70 64.1 -15.53 0.08 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.282 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.536 ' H ' ' C ' ' B' ' 10' ' ' ALA . 5.0 m-20 -107.97 14.06 25.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.997 0.427 . . . . 0.0 110.441 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' B' ' 106' ' ' CYS . 61.4 m -61.33 -173.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.018 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 52.0 m -84.5 125.06 72.62 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.257 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.497 ' O ' ' N ' ' B' ' 17' ' ' LYS . 24.6 Cg_exo -63.01 79.84 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.357 2.038 . . . . 0.0 112.656 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.654 ' HG ' ' HB1' ' B' ' 107' ' ' ALA . 1.8 mp 45.13 -86.68 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.389 0.614 . . . . 0.0 112.112 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.566 ' H ' ' HD2' ' B' ' 17' ' ' LYS . 13.0 mptt -33.26 117.83 0.29 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.383 -1.28 . . . . 0.0 112.172 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.85 -161.84 1.14 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.728 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 27.9 m -158.66 145.13 17.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.481 ' HA ' HG12 ' B' ' 78' ' ' VAL . 19.8 mp0 -73.18 112.96 9.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.656 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 145.28 -18.99 1.9 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.396 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.534 ' HB3' ' H ' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -104.9 172.64 6.68 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.648 0.261 . . . . 0.0 110.386 179.67 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.559 ' HB3' ' HD3' ' B' ' 77' ' ' ARG . 9.3 pt-20 -154.02 -171.61 3.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.088 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.448 HD23 ' N ' ' B' ' 25' ' ' VAL . 9.7 tt -161.52 149.6 15.29 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.061 0.458 . . . . 0.0 111.48 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.476 HG22 ' HG3' ' B' ' 75' ' ' ARG . 91.8 t -136.03 104.96 4.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.508 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 51.1 tp -88.9 147.23 24.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 88.7 m -154.85 114.43 3.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 80.5 mt -115.3 154.12 47.48 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -83.07 125.24 4.03 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.538 2.159 . . . . 0.0 112.628 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 48.4 t -172.44 113.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.808 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -76.46 139.36 67.57 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -79.22 -9.71 15.13 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.625 2.217 . . . . 0.0 112.535 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 66.8 p -79.78 -0.4 34.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.231 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 67.4 p -100.3 -57.93 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.38 -43.29 1.23 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.123 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -75.35 100.74 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.807 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.554 ' HB2' ' HG3' ' B' ' 93' ' ' PRO . 14.0 mmm180 -106.26 -160.16 0.73 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.272 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.471 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 93.1 m95 -124.26 129.39 50.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.734 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -116.66 153.73 31.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.208 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.565 HD23 ' HG ' ' B' ' 88' ' ' LEU . 80.0 mt -96.14 97.85 9.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -67.03 -20.68 65.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.415 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.602 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 61.3 t30 -167.59 93.09 0.67 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.483 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.14 -5.8 17.28 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.531 2.154 . . . . 0.0 112.914 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.499 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 57.84 24.69 11.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.791 0.329 . . . . 0.0 110.711 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.15 -11.56 1.72 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.57 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.3 m -61.14 -33.49 73.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.419 HG11 ' HA3' ' B' ' 82' ' ' GLY . 34.3 m -126.41 -23.99 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.895 0.378 . . . . 0.0 111.326 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.499 HD12 ' HB3' ' B' ' 44' ' ' ALA . 90.4 mt -96.4 145.3 25.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.1 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -119.73 -161.37 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.165 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.559 ' HD3' ' HB3' ' B' ' 77' ' ' ARG . 9.6 mpt_? 64.26 16.16 9.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.629 0.252 . . . . 0.0 111.433 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -51.83 -72.54 0.05 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.698 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.07 175.85 5.14 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.751 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -82.54 -167.21 0.45 Allowed 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.961 2.44 . . . . 0.0 112.421 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -90.97 143.01 27.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.755 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 65.1 t -98.13 121.03 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.19 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -157.56 97.28 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.779 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.0 p -171.41 177.9 3.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -102.79 131.09 49.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.81 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 79.7 p -162.69 -51.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.969 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -78.34 128.07 33.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -100.62 -64.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -104.39 101.05 10.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 61.0 m -156.71 -175.24 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.56 -58.18 13.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.483 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 81.7 mt 58.68 108.19 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.163 0.506 . . . . 0.0 111.191 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 23.5 t -82.76 -24.42 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.015 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -110.82 -158.77 15.94 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.419 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 73.9 p -139.14 -10.42 1.28 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.754 0.311 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.04 4.98 0.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.526 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 153.92 136.68 2.32 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.542 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -143.85 146.4 33.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 58.9 m -65.04 143.6 57.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 68.1 m -136.37 110.45 8.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.07 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -117.07 124.81 50.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.737 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.476 ' HG3' HG22 ' B' ' 25' ' ' VAL . 48.7 ttp180 -137.65 137.15 38.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.302 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.55 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 0.0 OUTLIER -153.28 164.59 37.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.148 179.34 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.559 ' HB3' ' HD3' ' B' ' 50' ' ' ARG . 3.6 tpp180 -136.47 146.19 46.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.982 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.481 HG12 ' HA ' ' B' ' 20' ' ' GLN . 60.7 t -80.4 105.99 10.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 110.355 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.63 -59.02 2.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.817 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -126.25 -175.12 3.28 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.239 0.543 . . . . 0.0 111.719 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.761 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 6.4 p -83.43 -168.19 2.0 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.273 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . 0.419 ' HA3' HG11 ' B' ' 47' ' ' VAL . . . 118.36 167.72 14.08 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.311 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -107.74 133.27 52.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.123 0.487 . . . . 0.0 111.48 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -161.02 -178.78 7.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.668 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -162.01 116.43 1.89 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.812 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.644 HD12 HD11 ' B' ' 88' ' ' LEU . 0.3 OUTLIER -62.54 129.61 41.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.45 179.736 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.602 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 26.5 mt-10 -128.42 125.29 38.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.059 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.644 HD11 HD12 ' B' ' 86' ' ' LEU . 4.7 mp -132.33 161.13 34.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.787 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.466 HG22 ' N ' ' B' ' 90' ' ' TYR . 13.4 p -150.16 159.54 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.932 0.396 . . . . 0.0 111.254 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' TYR . . . . . 0.535 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 48.9 t80 -109.85 100.72 9.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.05 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.418 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 39.2 ptt180 -167.52 163.29 14.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.774 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.479 ' HA ' ' HD3' ' B' ' 93' ' ' PRO . 87.4 mtt180 -60.61 134.07 91.7 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.455 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' PRO . . . . . 0.554 ' HG3' ' HB2' ' B' ' 37' ' ' ARG . 2.5 Cg_endo -81.59 27.75 0.57 Allowed 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.259 2.639 . . . . 0.0 114.879 -177.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' TRP . . . . . 0.429 ' CZ3' ' HG2' ' B' ' 95' ' ' GLU . 25.7 p-90 -129.88 -13.05 4.17 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.396 0.617 . . . . 0.0 109.488 178.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.429 ' HG2' ' CZ3' ' B' ' 94' ' ' TRP . 31.4 mt-10 -69.16 163.71 24.25 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.134 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -105.93 -57.87 1.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.623 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -147.06 97.78 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.56 135.56 17.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.69 130.33 90.41 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . 0.418 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 67.6 Cg_endo -85.72 -161.14 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.656 2.237 . . . . 0.0 112.471 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -118.4 -19.93 8.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.535 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 25.4 mt-10 -135.85 -174.42 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.153 0.502 . . . . 0.0 111.494 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.2 p -173.08 154.29 2.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.556 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -157.7 151.38 23.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.773 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 47.9 t -171.86 144.85 1.82 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.852 0.358 . . . . 0.0 111.216 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' B' ' 13' ' ' CYS . 93.5 m -136.3 135.46 38.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.654 ' HB1' ' HG ' ' B' ' 16' ' ' LEU . . . -72.27 129.21 37.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . 0.538 HD12 HD23 ' B' ' 86' ' ' LEU . 3.4 mt -138.18 90.82 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.539 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . 0.568 ' HB3' ' HB3' ' B' ' 16' ' ' LEU . 35.5 tt0 -120.92 99.79 6.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.219 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.761 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 2.3 t -86.15 161.46 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.012 0.434 . . . . 0.0 111.28 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.721 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 27.2 tpt180 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.729 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.798 0.332 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -146.14 52.34 0.57 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.497 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 47.4 t -142.01 141.55 32.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.827 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 47.0 t -84.48 161.7 20.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.987 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -123.95 -60.93 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -90.7 141.74 28.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -97.87 6.51 47.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -72.93 109.45 6.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -98.94 178.55 4.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -144.04 145.37 32.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.8 p -62.03 147.93 45.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.2 t -88.16 -44.44 10.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -77.24 128.48 9.01 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.516 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 56.6 tp -118.45 121.5 40.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 31.6 t -119.49 94.03 47.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -55.92 128.21 29.33 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.582 2.188 . . . . 0.0 112.318 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -109.61 -34.17 6.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -153.53 170.94 32.35 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 46.8 t -163.93 138.8 5.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.859 0.361 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -138.13 85.29 2.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 83.3 mtp 59.57 7.58 1.05 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.457 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -146.18 158.12 43.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.793 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.618 ' HE2' ' HD2' ' B' ' 3' ' ' PRO . 13.4 mtpt -152.57 171.24 6.93 Favored Pre-proline 0 N--CA 1.453 -0.322 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.618 ' HD2' ' HE2' ' B' ' 2' ' ' LYS . 13.1 Cg_endo -54.92 -5.91 0.57 Allowed 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 121.771 1.647 . . . . 0.0 109.672 177.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.689 ' HA ' ' HB2' ' B' ' 23' ' ' GLU . 13.1 t 64.74 125.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 114.021 -1.445 . . . . 0.0 110.63 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.719 ' HA ' HD12 ' B' ' 24' ' ' LEU . 2.5 p 179.02 127.89 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.685 -177.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.775 HG21 ' HA ' ' B' ' 25' ' ' VAL . 90.1 m -154.01 -91.64 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.063 0.459 . . . . 0.0 111.662 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' B' ' 25' ' ' VAL . 1.3 mm? -100.73 -174.72 2.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.861 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.416 ' HA ' ' HB ' ' B' ' 27' ' ' THR . 19.0 t70 -169.7 -27.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.37 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -136.49 -168.14 2.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.62 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.39 14.73 15.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.373 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -118.27 -10.46 10.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -88.1 8.7 25.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.07 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.525 ' HB3' ' HA ' ' B' ' 106' ' ' CYS . 71.6 m -70.56 134.69 47.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.999 0.428 . . . . 0.0 110.889 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 10.8 p -172.52 158.7 3.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.511 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.82 78.73 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.194 1.929 . . . . 0.0 111.861 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 tp -69.42 117.78 11.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.049 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -76.48 131.19 38.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.768 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' B' ' 19' ' ' THR . 31.5 tp 62.71 164.82 0.11 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.852 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.857 HG23 HG11 ' B' ' 78' ' ' VAL . 3.8 t 172.2 -20.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 112.003 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.416 ' HG3' ' CG1' ' B' ' 110' ' ' VAL . 93.7 mt-30 -40.92 114.37 0.47 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.991 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.0 43.39 2.62 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.064 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -143.78 126.89 16.51 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.689 ' HB2' ' HA ' ' B' ' 4' ' ' VAL . 1.4 mm-40 -83.43 -173.43 4.71 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.22 0.533 . . . . 0.0 111.933 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' B' ' 5' ' ' VAL . 0.5 OUTLIER 73.55 -158.11 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.811 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.775 ' HA ' HG21 ' B' ' 6' ' ' THR . 6.2 p 163.04 -45.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.103 0 C-N-CA 122.964 0.506 . . . . 0.0 110.575 -178.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.532 HD11 HD21 ' B' ' 86' ' ' LEU . 76.8 mt -151.69 161.44 42.66 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.111 0.482 . . . . 0.0 111.521 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.416 ' HB ' ' HA ' ' B' ' 8' ' ' ASP . 61.6 m -156.67 96.62 1.65 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.718 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.9 mt -144.0 152.83 56.04 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.009 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' B' ' 71' ' ' GLU . 97.8 Cg_endo -87.94 153.69 7.19 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.783 2.322 . . . . 0.0 112.287 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 61.4 p -168.63 161.47 11.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -96.79 104.7 19.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . 0.509 ' HA ' ' HD3' ' B' ' 37' ' ' ARG . 72.1 Cg_endo -73.44 151.98 48.53 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.566 2.177 . . . . 0.0 112.501 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 66.7 p 49.87 24.84 1.4 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.592 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 72.5 m -107.66 -38.58 5.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.24 -63.28 0.46 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.404 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -79.09 107.06 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 110.881 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.57 ' HB2' ' HG3' ' B' ' 93' ' ' PRO . 17.4 mmm180 -122.75 -160.93 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.326 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.451 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 96.4 m95 -125.7 123.1 38.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.936 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -101.17 159.35 15.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.749 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.501 HD23 ' HG ' ' B' ' 88' ' ' LEU . 89.0 mt -100.85 104.93 16.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.286 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -80.67 -21.5 41.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.246 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.604 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 8.7 t30 -169.62 84.8 0.61 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.154 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.431 ' HA ' ' CD1' ' B' ' 86' ' ' LEU . 42.0 Cg_endo -65.26 -1.75 4.96 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.704 2.269 . . . . 0.0 113.098 -178.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 54.76 24.71 5.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.959 0.409 . . . . 0.0 110.388 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.14 -13.64 2.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.372 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.1 t -61.35 -27.2 68.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.443 ' HA ' ' HB3' ' B' ' 80' ' ' ALA . 29.1 m -131.17 -7.19 2.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.773 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.619 HD22 HG22 ' B' ' 78' ' ' VAL . 27.0 mt -114.59 137.91 51.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.8 0.333 . . . . 0.0 111.199 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -100.63 144.79 29.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -103.48 132.07 50.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' B' ' 77' ' ' ARG . 7.3 mp -65.17 -43.13 92.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 144.01 -172.59 25.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.482 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.6 101.48 1.38 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.641 2.228 . . . . 0.0 112.39 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -172.58 116.01 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 27.3 m -130.23 11.67 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -130.04 -178.71 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.73 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 53.1 m -112.76 156.77 22.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -67.49 -62.02 1.62 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 50.2 m -119.51 -63.22 1.41 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -157.82 105.46 2.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.665 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -137.89 -178.25 5.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -81.8 113.16 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 47.8 t -155.4 -28.13 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.29 -72.74 0.42 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.452 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 68.8 mt 52.2 27.65 4.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.254 0.549 . . . . 0.0 111.344 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.39 -27.5 42.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -122.71 35.45 3.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.423 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 38.7 m 58.91 18.16 5.94 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.779 0.323 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 119.92 18.94 4.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.442 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.02 45.0 1.62 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.536 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.44 ' HA ' ' HA ' ' B' ' 29' ' ' PRO . 49.0 mt-10 -144.7 118.05 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 111.09 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.1 p -64.62 103.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.39 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 58.2 m -92.15 97.75 11.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.532 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.515 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 85.1 m95 -99.42 112.36 24.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.015 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.497 ' HD2' HG11 ' B' ' 4' ' ' VAL . 75.6 mtm180 -134.06 103.94 6.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.8 0.333 . . . . 0.0 111.883 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -107.38 -172.44 2.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.992 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.676 ' HB2' HD11 ' B' ' 51' ' ' LEU . 2.2 tmt_? -145.17 129.65 17.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.128 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.857 HG11 HG23 ' B' ' 19' ' ' THR . 31.1 t -77.77 144.87 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 111.641 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -156.68 6.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.954 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.488 ' O ' HG21 ' B' ' 110' ' ' VAL . . . -136.08 157.99 45.5 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.498 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 7.9 p -98.61 172.94 7.17 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.446 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.11 167.52 20.55 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.562 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.586 ' HB3' HE22 ' B' ' 109' ' ' GLN . 2.3 p30 -85.22 160.98 19.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.834 0.349 . . . . 0.0 111.207 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.408 ' OD2' ' HB ' ' B' ' 108' ' ' ILE . 7.3 p-10 -171.51 178.18 3.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.815 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -161.73 99.72 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.532 HD21 HD11 ' B' ' 26' ' ' LEU . 63.8 tp -60.0 141.09 56.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.585 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.604 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 23.5 mt-10 -140.55 133.61 29.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.584 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.595 ' HB2' ' HB3' ' B' ' 104' ' ' PHE . 6.2 mp -138.95 169.75 17.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.372 179.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.5 ' HA ' ' HA ' ' B' ' 103' ' ' SER . 14.9 p -149.44 157.91 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.018 0.437 . . . . 0.0 111.042 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' TYR . . . . . 0.453 ' N ' HG22 ' B' ' 89' ' ' VAL . 13.1 t80 -103.82 103.34 13.2 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.033 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.548 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 39.1 ptt180 -170.89 173.14 5.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.468 ' HA ' ' HD3' ' B' ' 93' ' ' PRO . 97.7 mtt180 -68.99 137.14 89.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.477 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' PRO . . . . . 0.57 ' HG3' ' HB2' ' B' ' 37' ' ' ARG . 2.2 Cg_endo -82.25 27.47 0.59 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.317 2.678 . . . . 0.0 114.986 -177.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' TRP . . . . . 0.433 ' CZ3' ' HG2' ' B' ' 95' ' ' GLU . 25.4 p-90 -129.2 -12.48 4.57 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.343 0.592 . . . . 0.0 109.455 179.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.433 ' HG2' ' CZ3' ' B' ' 94' ' ' TRP . 28.1 mt-10 -70.75 166.7 20.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.091 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -113.46 -41.02 3.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.546 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -167.26 103.12 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.745 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.61 -164.85 1.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.255 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -106.08 93.76 8.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.782 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . 0.548 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 50.3 Cg_endo -69.39 168.52 20.83 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.576 2.184 . . . . 0.0 112.33 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.58 -75.03 0.49 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -90.46 -177.35 5.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.388 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' B' ' 89' ' ' VAL . 49.1 m -161.6 -179.63 7.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.576 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.595 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 25.7 t80 -159.81 149.18 17.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 47.9 t -164.03 107.54 0.96 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.152 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' CYS . . . . . 0.525 ' HA ' ' HB3' ' B' ' 13' ' ' CYS . 0.1 OUTLIER -116.32 132.57 56.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.029 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.82 146.97 24.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.468 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . 0.408 ' HB ' ' OD2' ' B' ' 84' ' ' ASP . 71.9 mt -146.29 145.07 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . 0.586 HE22 ' HB3' ' B' ' 83' ' ' ASP . 5.7 tp-100 -144.95 102.43 3.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.642 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.498 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 3.5 t -68.66 -65.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.787 0.327 . . . . 0.0 111.012 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.014 -179.558 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.876 0.37 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 124.21 6.8 6.74 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.535 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 79.9 p -91.8 164.1 13.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.796 0.331 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 49.2 m -91.53 122.61 34.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -93.84 131.07 39.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -100.07 119.02 37.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -130.06 109.03 10.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 58.17 -172.25 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.031 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 -91.01 -175.63 4.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 44.1 t60 59.52 98.66 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.037 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 48.3 t -162.58 129.74 3.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 79.6 p -147.91 174.89 11.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 117.48 29.99 1.97 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.547 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -142.95 -175.67 4.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.822 0.344 . . . . 0.0 111.029 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 34.5 m -56.76 151.55 31.22 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.33 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.73 136.2 64.58 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.543 2.162 . . . . 0.0 112.365 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -105.35 -172.97 2.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -65.51 177.18 13.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.609 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 47.8 t -84.92 158.93 20.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -119.74 175.91 5.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 24.1 mmt -86.51 -176.87 6.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.695 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 65.16 126.98 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.752 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.561 ' HB2' HG23 ' B' ' 5' ' ' VAL . 42.0 mtpt -103.8 140.69 21.3 Favored Pre-proline 0 CA--C 1.519 -0.216 0 CA-C-O 120.722 0.296 . . . . 0.0 111.565 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.518 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 61.3 Cg_exo -57.13 -25.73 65.54 Favored 'Trans proline' 0 CA--C 1.508 -0.783 0 C-N-CA 122.625 2.217 . . . . 0.0 110.706 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 61.2 t -157.7 81.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.365 -1.289 . . . . 0.0 110.903 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.561 HG23 ' HB2' ' B' ' 2' ' ' LYS . 6.7 t -59.06 105.63 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -69.52 161.98 28.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.878 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.44 HD13 ' C ' ' B' ' 7' ' ' LEU . 2.5 tm? -162.19 113.41 1.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.183 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -109.3 -15.0 14.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -79.23 -159.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.57 -70.42 0.44 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.402 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -90.76 -8.85 48.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.178 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.7 -9.94 48.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.07 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.493 ' C ' ' HD3' ' B' ' 15' ' ' PRO . 0.7 OUTLIER -62.78 -96.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.242 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.555 ' N ' ' HD3' ' B' ' 15' ' ' PRO . 80.6 p 41.76 47.04 2.12 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.878 -178.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.614 ' HD2' ' HB3' ' B' ' 107' ' ' ALA . 92.3 Cg_endo -89.13 -35.01 0.09 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 122.026 1.817 . . . . 0.0 113.072 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.703 ' HG ' ' HB1' ' B' ' 107' ' ' ALA . 4.4 mp 58.77 -89.38 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.542 0.687 . . . . 0.0 110.913 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.404 ' H ' ' HB2' ' B' ' 16' ' ' LEU . 48.9 mttm -38.5 107.27 0.06 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.297 -1.319 . . . . 0.0 111.51 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 16.5 tp -142.65 172.7 12.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.409 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.559 HG23 HH12 ' B' ' 111' ' ' ARG . 24.3 m -154.32 145.76 23.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.933 0.397 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.475 ' HG3' HG12 ' B' ' 78' ' ' VAL . 18.7 mp0 -53.27 143.41 18.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.959 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.426 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 117.44 -10.86 14.42 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.427 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -111.8 152.93 27.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.92 0.39 . . . . 0.0 110.643 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.518 ' HB2' ' O ' ' B' ' 3' ' ' PRO . 37.7 mt-10 -127.99 -167.79 1.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.912 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.413 HD23 ' N ' ' B' ' 25' ' ' VAL . 8.9 tt -166.21 150.1 7.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.033 0.444 . . . . 0.0 111.413 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.513 HG22 ' HG2' ' B' ' 75' ' ' ARG . 65.3 t -138.47 107.64 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.819 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.427 ' HB2' ' HB2' ' B' ' 74' ' ' TRP . 94.6 mt -77.91 158.58 29.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 59.2 m -153.88 102.88 2.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . 82.0 mt -132.2 138.14 31.63 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 28' ' ' LEU . 23.6 Cg_exo -64.56 150.05 88.88 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.623 2.215 . . . . 0.0 112.282 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.4 ' HB3' ' HE1' ' B' ' 38' ' ' TRP . 88.5 p -164.65 132.91 3.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.694 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -108.06 104.02 52.1 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.019 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . 0.502 ' HB3' HH12 ' B' ' 37' ' ' ARG . 35.6 Cg_exo -57.92 -22.0 52.25 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.49 2.127 . . . . 0.0 112.302 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 77.8 p -63.02 -41.91 99.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.249 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 77.9 p -71.78 -63.77 1.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.242 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.7 -13.13 4.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.253 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -75.82 91.09 2.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.127 0.489 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.502 HH12 ' HB3' ' B' ' 32' ' ' PRO . 3.9 tpt180 -90.96 -146.93 0.2 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.248 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.4 ' HE1' ' HB3' ' B' ' 30' ' ' SER . 95.2 m95 -137.2 137.92 39.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.859 0.362 . . . . 0.0 110.937 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.493 ' HG2' HH21 ' B' ' 91' ' ' ARG . 8.9 tp10 -117.88 137.98 52.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.417 HD13 ' HB3' ' B' ' 43' ' ' PRO . 95.7 mt -89.97 108.78 19.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.523 ' NE ' ' HA ' ' B' ' 41' ' ' ARG . 4.0 mmp_? -82.57 -17.13 45.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.512 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.592 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 59.8 t30 -174.58 86.12 0.33 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.659 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.432 ' HA ' ' CD1' ' B' ' 86' ' ' LEU . 60.9 Cg_endo -71.87 0.93 6.38 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.587 2.192 . . . . 0.0 112.631 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.71 22.25 6.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.873 0.368 . . . . 0.0 110.929 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.85 -8.08 2.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.369 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -64.57 -34.41 78.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.25 -36.86 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.722 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.557 HD11 HG21 ' B' ' 108' ' ' ILE . 13.7 mt -86.89 133.46 33.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.8 0.333 . . . . 0.0 110.817 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -87.96 137.05 32.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -80.8 141.56 34.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.628 HD12 ' HB3' ' B' ' 75' ' ' ARG . 71.4 mt -91.42 104.21 16.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 73.56 163.5 8.54 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.54 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.52 -64.39 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.653 2.235 . . . . 0.0 112.31 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -164.46 -179.32 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 42.1 t -128.19 130.24 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.979 0.418 . . . . 0.0 111.042 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 75.2 t80 60.29 103.98 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.138 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m -117.75 -66.75 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.759 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -104.82 -163.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.726 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 51.7 m -53.48 -49.62 67.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.814 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 58.76 100.21 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.304 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -64.67 116.66 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.762 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 58.77 93.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.9 m -98.88 -39.95 8.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.036 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.65 71.83 0.74 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.313 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 46.8 mt -116.28 -143.13 0.38 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 121.039 0.447 . . . . 0.0 110.341 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 34.6 t -92.54 -27.98 4.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -116.38 -149.81 9.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.473 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 72.2 p -152.95 -5.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -111.1 -47.04 0.78 Allowed Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.396 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 162.47 140.82 2.96 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.548 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -151.59 177.59 10.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.334 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 54.9 m -121.1 109.14 14.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 58.1 m -114.04 129.6 56.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.427 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 80.5 m95 -125.2 146.59 49.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.628 ' HB3' HD12 ' B' ' 51' ' ' LEU . 93.6 mtt180 -137.18 135.81 37.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.703 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.76 153.96 49.65 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.967 0.413 . . . . 0.0 111.431 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.426 ' NH2' ' HA2' ' B' ' 21' ' ' GLY . 9.9 tpt180 -140.37 136.75 33.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.647 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.548 HG22 HD22 ' B' ' 48' ' ' LEU . 28.5 t -86.21 113.16 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.848 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' B' ' 20' ' ' GLN . . . -111.16 -53.51 2.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.93 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -108.6 155.75 20.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.912 0.387 . . . . 0.0 111.419 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.45 ' HA ' ' CB ' ' B' ' 110' ' ' VAL . 27.2 p -77.79 -176.85 4.6 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.953 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.35 160.76 11.27 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.579 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -89.29 145.24 25.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.702 0.287 . . . . 0.0 110.8 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -169.42 -174.27 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -167.02 109.62 0.69 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.697 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.477 ' HA ' ' O ' ' B' ' 42' ' ' ASN . 62.0 tp -63.47 146.76 52.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.904 0.383 . . . . 0.0 110.812 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.592 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 3.4 mt-10 -145.07 135.13 23.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.496 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.421 ' HB2' ' HB3' ' B' ' 104' ' ' PHE . 5.4 mp -144.95 118.47 9.1 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 22.1 m -109.03 157.32 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.759 0.314 . . . . 0.0 110.935 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' TYR . . . . . 0.605 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 6.9 t80 -95.45 108.45 20.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.347 -179.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.493 HH21 ' HG2' ' B' ' 39' ' ' GLU . 36.6 ptt180 -173.56 172.69 3.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.337 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.639 ' H ' ' HB2' ' B' ' 96' ' ' LYS . 94.7 mtt180 -54.82 155.3 8.19 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.806 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' PRO . . . . . 0.41 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 80.6 Cg_exo -47.32 -28.05 7.7 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.941 2.428 . . . . 0.0 113.443 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' TRP . . . . . . . . . . . . . 23.0 p90 -108.45 -57.14 2.17 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.782 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' B' ' 95' ' ' GLU . 10.3 pt-20 178.44 123.19 0.05 OUTLIER 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.992 0.425 . . . . 0.0 111.407 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.639 ' HB2' ' H ' ' B' ' 92' ' ' ARG . 12.5 tmtt? -103.29 91.26 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 60.09 14.3 4.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.833 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 57.01 17.02 3.14 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.414 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -124.1 96.68 41.84 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.658 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -77.79 145.54 22.86 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.974 2.45 . . . . 0.0 112.542 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.86 -66.46 0.84 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.808 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.605 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 20.9 mt-10 -85.17 -172.52 4.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.763 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 78.8 p -166.37 152.48 8.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.954 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.421 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 39.8 t80 -143.76 143.28 31.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 47.3 t -160.5 102.35 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 10.2 t -109.08 117.61 34.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.703 ' HB1' ' HG ' ' B' ' 16' ' ' LEU . . . -64.16 133.42 52.89 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . 0.557 HG21 HD11 ' B' ' 48' ' ' LEU . 59.5 mt -146.0 111.97 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.997 0.427 . . . . 0.0 111.656 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -139.85 104.56 4.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.315 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.462 HG13 ' HA ' ' B' ' 19' ' ' THR . 20.4 t -63.25 -82.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.175 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.559 HH12 HG23 ' B' ' 19' ' ' THR . 6.7 mpt_? . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.314 -0.85 . . . . 0.0 110.971 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.777 0.322 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -97.2 -142.62 13.57 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.348 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 49.0 m -92.07 -31.02 15.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 81.1 p -90.95 121.82 33.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -140.73 119.54 12.56 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -131.55 -43.83 1.01 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -109.85 147.52 33.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.741 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -142.96 140.58 31.14 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.69 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -140.95 178.78 7.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.819 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -85.05 126.66 33.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 46.9 t -76.61 145.04 39.16 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 55.7 m -69.68 130.04 41.28 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -140.27 -139.68 3.77 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.384 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 55.2 tp -96.11 132.91 41.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.786 0.327 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 33.9 m -98.28 150.63 36.92 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -57.51 -62.39 0.22 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.674 2.249 . . . . 0.0 112.221 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -4' ' ' ARG . . . . . 0.426 ' NE ' ' HA ' ' B' ' -4' ' ' ARG . 4.4 mmp_? -96.1 137.64 34.88 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 150.67 -4.22 0.55 Allowed Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.594 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 47.8 t -96.64 142.94 28.08 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.703 0.287 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 61.6 m80 65.02 143.44 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.203 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 95.5 mmm -135.61 172.31 13.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -148.11 140.29 24.19 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.772 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.576 ' C ' ' H ' ' B' ' 4' ' ' VAL . 9.4 mmtm -131.29 141.97 43.78 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.629 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 31.6 Cg_exo -64.4 5.8 0.38 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.708 2.272 . . . . 0.0 110.186 177.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.649 HG21 HG23 ' B' ' 25' ' ' VAL . 2.0 p 42.6 101.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 114.3 -1.318 . . . . 0.0 112.083 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.69 141.38 17.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.116 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.429 HG22 ' N ' ' B' ' 7' ' ' LEU . 3.3 m -100.09 164.04 12.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.125 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.429 ' N ' HG22 ' B' ' 6' ' ' THR . 83.4 mt -138.27 145.88 41.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -138.21 -9.54 1.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -130.91 146.96 52.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.062 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.76 -43.83 24.69 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.055 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.6 -24.24 67.02 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.775 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -70.06 -19.8 63.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 60.7 m -69.19 155.72 39.92 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.051 0.453 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.457 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 14.3 m -153.55 159.27 32.32 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.355 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.457 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 13.8 Cg_endo -56.67 89.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.177 1.918 . . . . 0.0 111.628 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 22.6 tp -41.2 99.62 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.302 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.548 ' HD3' ' H ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -76.14 98.86 4.5 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.283 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.484 ' H ' ' HA ' ' B' ' 110' ' ' VAL . 27.7 tp 63.23 162.69 0.1 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.663 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.555 HG23 ' H ' ' B' ' 20' ' ' GLN . 0.0 OUTLIER -174.53 -89.23 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.62 -179.789 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.555 ' H ' HG23 ' B' ' 19' ' ' THR . 58.6 mt-30 47.81 88.99 0.02 OUTLIER 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.096 0.474 . . . . 0.0 111.065 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.08 2.35 18.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.073 -0.584 . . . . 0.0 111.946 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.551 ' HG2' ' HG3' ' B' ' 2' ' ' LYS . 4.8 mt-30 -104.5 133.57 49.14 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.793 0.33 . . . . 0.0 110.464 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.481 ' HG3' ' HB ' ' B' ' 4' ' ' VAL . 0.0 OUTLIER -98.6 -177.99 3.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.476 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 39.0 tp -162.26 112.57 1.53 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.716 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.649 HG23 HG21 ' B' ' 4' ' ' VAL . 54.2 t -110.74 95.59 3.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.459 ' HB2' ' HB2' ' B' ' 74' ' ' TRP . 94.3 mt -73.27 156.04 38.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.049 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 68.7 m -154.07 110.28 3.28 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.413 ' HA ' ' HD3' ' B' ' 29' ' ' PRO . 80.7 mt -132.37 137.08 29.14 Favored Pre-proline 0 C--O 1.234 0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 28' ' ' LEU . 25.8 Cg_exo -62.83 122.81 11.26 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.582 2.188 . . . . 0.0 112.344 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 45.9 t -169.19 117.34 0.64 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.759 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -84.09 123.41 75.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -74.36 -1.33 10.85 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.49 2.126 . . . . 0.0 112.413 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 71.0 p -88.83 -7.6 55.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.229 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 69.1 p -90.39 -58.7 2.4 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.0 -42.85 1.07 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.286 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -71.92 100.67 2.49 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.074 0.464 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -100.65 -160.87 0.82 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.993 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -115.6 106.08 13.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.971 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -87.57 140.64 29.32 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.507 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 97.2 mt -90.08 100.59 13.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.333 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.481 ' HB2' ' HB3' ' B' ' 87' ' ' GLU . 14.2 mmm180 -72.54 -25.12 61.26 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.188 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.49 ' HB3' ' HB2' ' B' ' 87' ' ' GLU . 63.5 t30 -172.73 89.95 0.4 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.493 ' HG3' HH21 ' B' ' 50' ' ' ARG . 56.2 Cg_endo -69.16 8.2 0.68 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.647 2.231 . . . . 0.0 112.79 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.407 ' HA ' ' OD1' ' B' ' 84' ' ' ASP . . . 54.41 23.69 4.65 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.848 0.356 . . . . 0.0 110.787 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.67 -14.68 3.46 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.423 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 83.1 p -60.54 -29.63 69.26 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.2 m -123.39 -31.16 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.505 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.564 HD22 HG22 ' B' ' 78' ' ' VAL . 12.2 mt -92.58 168.91 10.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.68 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -131.03 148.57 52.76 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.493 HH21 ' HG3' ' B' ' 43' ' ' PRO . 99.0 mtt180 -90.46 158.12 17.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.514 HD12 ' HB3' ' B' ' 75' ' ' ARG . 93.5 mt -93.58 -63.2 1.23 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.896 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -141.36 176.71 21.6 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.417 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -81.22 -45.06 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.774 2.316 . . . . 0.0 112.518 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -95.07 160.35 14.6 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.057 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 31.6 m -132.83 11.6 1.51 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -104.1 -69.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.009 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.4 p -103.22 114.06 28.05 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -155.87 -59.86 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.766 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 79.6 p -145.93 -42.45 0.21 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.06 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 59.47 99.77 0.02 OUTLIER 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.203 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -94.27 -64.74 1.04 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.066 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -139.1 8.67 2.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.972 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 78.9 p -62.18 113.09 2.66 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.91 -39.27 17.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.427 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 78.2 mt 60.12 109.15 0.02 OUTLIER 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.922 0.391 . . . . 0.0 111.168 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 94.2 t -65.95 112.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.04 -133.27 11.67 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.544 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 77.2 p -91.81 4.58 52.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.682 0.277 . . . . 0.0 110.756 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.22 70.43 0.57 Allowed Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.449 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -121.92 50.62 0.83 Allowed Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.635 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -136.9 120.83 17.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 0.0 110.804 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 46.6 t -69.66 114.51 7.93 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 74.4 m -114.57 118.53 33.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.974 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.459 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 84.2 m95 -108.91 115.74 30.67 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.813 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.514 ' HB3' HD12 ' B' ' 51' ' ' LEU . 73.2 mtm180 -106.71 126.0 51.73 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -133.28 157.04 46.46 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.11 0.481 . . . . 0.0 111.138 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.46 HH11 ' HG2' ' B' ' 23' ' ' GLU . 9.9 tpt180 -145.23 124.78 13.19 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.318 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.564 HG22 HD22 ' B' ' 48' ' ' LEU . 61.3 t -66.36 143.85 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.196 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -131.21 -36.53 1.3 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.374 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -141.61 156.69 45.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.936 0.398 . . . . 0.0 111.381 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 43.0 p -72.97 -167.31 0.37 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.061 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 121.42 160.72 11.12 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.426 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -102.46 116.46 32.67 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.407 ' OD1' ' HA ' ' B' ' 44' ' ' ALA . 3.7 t70 -143.94 -170.27 3.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.445 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -155.87 116.92 3.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.095 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.511 HD22 HD11 ' B' ' 88' ' ' LEU . 4.1 mt -65.18 141.22 58.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.438 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.49 ' HB2' ' HB3' ' B' ' 42' ' ' ASN . 45.2 mm-40 -140.52 111.67 7.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.511 HD11 HD22 ' B' ' 86' ' ' LEU . 5.3 mp -127.44 122.49 33.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.348 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.463 HG22 ' N ' ' B' ' 90' ' ' TYR . 14.8 p -111.23 158.2 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.176 0.512 . . . . 0.0 111.207 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' TYR . . . . . 0.504 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 72.5 t80 -108.4 100.74 9.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.688 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.405 ' HB3' ' HA ' ' B' ' 100' ' ' PRO . 33.5 ptt180 -164.52 -169.34 1.73 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.052 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.416 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 97.7 mtt180 -79.55 111.49 21.41 Favored Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.586 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.8 -13.15 19.9 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.673 2.249 . . . . 0.0 113.623 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' TRP . . . . . 0.416 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 7.9 p90 -82.03 7.45 13.23 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.197 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -114.31 162.28 16.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.784 0.326 . . . . 0.0 110.977 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -84.9 -38.96 18.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.689 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -167.33 107.67 0.6 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.859 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.82 178.9 6.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.457 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 40.8 mt-10 -75.74 115.68 48.28 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.092 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' B' ' 99' ' ' GLU . 6.1 Cg_exo -79.31 159.85 26.14 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.989 2.46 . . . . 0.0 112.387 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -98.81 -68.34 0.81 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.3 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.504 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 5.5 mm-40 -100.79 -162.3 0.93 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.326 0.584 . . . . 0.0 111.805 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.3 p -168.87 157.06 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.799 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -163.41 103.5 0.95 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.682 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 28.7 m -122.34 152.28 40.3 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.096 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 63.6 m -144.98 140.29 28.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.586 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.24 148.48 27.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.448 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . 0.466 HD13 HD11 ' B' ' 48' ' ' LEU . 74.4 mt -143.19 125.93 12.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.915 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -144.58 86.54 1.82 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.771 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.484 ' HA ' ' H ' ' B' ' 18' ' ' LEU . 17.9 t -72.02 -55.56 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.128 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.462 ' HE ' HD13 ' B' ' 18' ' ' LEU . 36.0 mmt180 . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.906 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.835 0.35 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 92.08 17.56 46.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 79.7 p -141.84 -21.83 0.72 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.92 0.39 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 51.1 m -135.39 135.53 40.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -92.22 175.26 6.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -94.06 141.45 28.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -91.32 2.56 56.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.817 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -89.75 126.18 35.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -95.06 145.86 24.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -129.7 -31.41 1.99 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 78.4 p -84.68 111.62 19.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 50.9 m 57.77 -172.62 0.09 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -161.39 -40.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.446 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 57.4 tp -159.93 111.64 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.838 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . 0.616 HG22 ' H ' ' B' ' -4' ' ' ARG . 4.3 p -156.4 129.74 4.51 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.975 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.65 -28.98 88.68 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.409 2.073 . . . . 0.0 112.331 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -4' ' ' ARG . . . . . 0.616 ' H ' HG22 ' B' ' -6' ' ' VAL . 59.2 ttp180 -58.64 -64.87 0.78 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.043 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -100.31 72.17 0.45 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 48.1 t -165.01 116.11 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 0.0 110.94 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -119.73 118.59 31.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.726 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.86 149.13 21.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.135 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . 0.461 ' HA ' HH22 ' B' ' 77' ' ' ARG . 11.4 pt20 -159.02 161.7 36.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.74 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.623 ' HG3' ' HG2' ' B' ' 22' ' ' GLN . 0.3 OUTLIER -132.78 151.11 77.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.338 . . . . 0.0 111.459 -179.823 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.55 ' HD2' ' HD3' ' B' ' 2' ' ' LYS . 36.8 Cg_exo -64.37 4.14 0.66 Allowed 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 123.178 2.585 . . . . 0.0 110.871 178.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.526 ' H ' ' C ' ' B' ' 2' ' ' LYS . 2.0 p 41.43 108.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 114.662 -1.154 . . . . 0.0 112.613 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.25 133.71 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.294 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.423 HG23 HG23 ' B' ' 25' ' ' VAL . 2.8 m -85.67 163.26 18.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.844 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 60.9 tp -150.56 142.92 24.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -143.64 0.77 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -116.65 177.56 4.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.22 -19.8 1.46 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.149 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -88.97 -26.18 21.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.776 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -81.74 2.97 27.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 18.9 m -77.03 144.95 38.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.055 0.455 . . . . 0.0 111.39 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.436 ' O ' ' N ' ' B' ' 16' ' ' LEU . 20.0 m -158.6 160.68 29.32 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.169 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.95 83.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.316 2.011 . . . . 0.0 111.908 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' B' ' 14' ' ' SER . 10.9 mt -66.58 172.4 4.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.802 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.519 ' HD2' ' N ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -121.33 72.47 1.0 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.61 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mp -73.68 -172.24 1.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.226 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 27.2 m -156.76 151.22 25.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.519 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.605 HE21 ' HA ' ' B' ' 80' ' ' ALA . 83.9 mt-30 -56.3 97.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.437 ' HA2' HH21 ' B' ' 77' ' ' ARG . . . 139.42 2.44 1.77 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.638 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.623 ' HG2' ' HG3' ' B' ' 2' ' ' LYS . 8.7 mt-30 -104.75 135.47 46.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.786 0.327 . . . . 0.0 110.703 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.451 ' HG3' ' HB ' ' B' ' 4' ' ' VAL . 0.1 OUTLIER -96.64 -175.68 3.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.361 179.461 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.429 ' HA ' HG23 ' B' ' 4' ' ' VAL . 4.9 tt -157.13 118.09 3.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.903 0.382 . . . . 0.0 110.795 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.516 HG13 HG21 ' B' ' 4' ' ' VAL . 19.9 m -106.3 148.76 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.221 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -153.5 147.24 25.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.2 m -151.73 132.91 14.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.232 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.419 ' HB3' ' HD2' ' B' ' 29' ' ' PRO . 5.5 mp -133.38 161.47 63.56 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.961 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' B' ' 28' ' ' LEU . 94.7 Cg_endo -82.48 125.22 4.37 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.531 2.154 . . . . 0.0 112.441 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.412 ' HB3' ' HE1' ' B' ' 38' ' ' TRP . 80.6 p -164.28 168.48 18.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.803 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -131.45 122.3 18.84 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.22 -0.82 10.11 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.426 2.084 . . . . 0.0 112.453 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 56.4 m -90.32 -33.35 16.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.066 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 69.6 p -66.23 -63.55 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.207 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.47 -28.57 2.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.384 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -81.02 98.76 8.11 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 111.047 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.409 ' HB2' ' HD3' ' B' ' 93' ' ' PRO . 18.1 mmm180 -101.05 -157.49 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.412 ' HE1' ' HB3' ' B' ' 30' ' ' SER . 88.3 m95 -127.15 136.56 52.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.732 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -117.32 154.86 30.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.956 0.407 . . . . 0.0 111.24 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.587 HD23 ' HG ' ' B' ' 88' ' ' LEU . 15.8 mt -102.87 98.74 8.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.201 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.465 HH11 HH22 ' B' ' 91' ' ' ARG . 31.9 mmm180 -72.53 -21.99 61.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.596 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.597 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 62.3 t30 -163.37 85.48 1.33 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.59 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.481 ' HB3' HD13 ' B' ' 40' ' ' LEU . 96.8 Cg_endo -77.9 32.24 0.44 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.82 2.346 . . . . 0.0 112.588 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.698 ' HB1' HD13 ' B' ' 48' ' ' LEU . . . 57.42 24.66 10.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.859 0.361 . . . . 0.0 110.971 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.72 -11.8 2.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.174 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -62.57 -47.75 82.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.969 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.881 HG23 HD12 ' B' ' 48' ' ' LEU . 8.3 m -128.34 -36.47 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.281 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.881 HD12 HG23 ' B' ' 47' ' ' VAL . 10.7 mp -71.78 -176.34 1.63 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.863 0.364 . . . . 0.0 110.551 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -142.97 150.14 39.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -94.69 156.38 16.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 82.1 mt -95.62 -68.02 0.82 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.79 157.43 29.45 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.612 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -66.32 -51.71 1.02 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.797 2.331 . . . . 0.0 112.282 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -57.08 152.37 13.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.993 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 28.3 m -124.77 12.4 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.068 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -115.93 144.85 43.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.5 t -156.0 -66.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.957 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -105.9 179.48 4.26 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 52.4 m -68.76 -56.12 9.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -125.58 112.99 16.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -84.09 -63.34 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -125.88 -58.12 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.82 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 57.1 m -141.2 -69.58 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.708 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.31 26.72 64.4 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.493 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 91.0 mt -97.48 21.38 10.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.306 0.574 . . . . 0.0 110.823 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 31.9 t -122.61 119.13 57.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.187 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.78 -32.18 6.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.566 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 94.6 p 50.67 23.96 1.53 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.813 0.339 . . . . 0.0 111.313 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -148.94 -15.89 0.1 OUTLIER Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.486 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.43 151.56 5.63 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.51 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.96 168.51 22.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 50.7 m -98.42 114.39 26.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 74.3 m -121.5 101.8 7.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -90.38 134.52 34.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.193 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -132.36 121.41 23.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.708 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -123.28 167.31 13.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.097 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.461 HH22 ' HA ' ' B' ' 1' ' ' GLN . 8.7 tpt180 -150.38 123.31 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.523 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.661 HG22 ' HG ' ' B' ' 48' ' ' LEU . 38.5 t -65.58 151.94 9.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.04 -3.82 0.75 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.605 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -160.97 156.34 24.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 111.608 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.617 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 20.5 p -82.45 167.91 17.98 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.752 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.64 176.3 14.41 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.402 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -93.85 123.98 37.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.773 0.321 . . . . 0.0 111.042 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -139.5 -178.99 5.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.471 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -165.58 126.56 1.9 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.895 0.378 . . . . 0.0 111.229 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.604 HD23 HD12 ' B' ' 108' ' ' ILE . 1.8 mm? -75.73 113.04 12.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.754 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.597 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 27.4 mt-10 -111.13 113.3 25.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.007 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.594 HD11 HD12 ' B' ' 86' ' ' LEU . 6.1 mp -125.13 147.54 48.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.689 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 30.6 m -135.42 161.34 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.054 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' TYR . . . . . 0.537 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 17.3 t80 -102.82 101.71 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.205 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.465 HH22 HH11 ' B' ' 41' ' ' ARG . 39.4 ptt180 -160.97 167.14 27.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.605 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.436 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 77.1 mtt180 -57.44 145.66 67.19 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.489 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' PRO . . . . . 0.409 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 83.3 Cg_endo -77.96 -26.8 6.31 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.69 2.26 . . . . 0.0 113.838 -178.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' TRP . . . . . 0.436 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 19.1 p90 -90.14 7.74 36.41 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.582 -179.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -109.14 114.26 27.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.944 0.402 . . . . 0.0 110.824 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.459 ' HB3' ' NZ ' ' B' ' 96' ' ' LYS . 3.0 mmmp? -80.27 -16.39 54.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -148.7 94.66 2.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.96 135.26 15.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.893 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -60.62 112.96 6.41 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -78.68 151.52 25.13 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.588 2.192 . . . . 0.0 112.605 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.436 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -79.85 -65.63 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.786 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.537 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 19.0 mt-10 -85.9 -172.54 4.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.768 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.0 p -164.21 155.27 15.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.479 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 60.0 t80 -147.91 146.87 29.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.076 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 46.8 t -163.58 113.19 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.616 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 6.2 t -121.33 118.08 28.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.098 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.82 135.29 53.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . 0.604 HD12 HD23 ' B' ' 86' ' ' LEU . 86.6 mt -144.31 114.4 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.511 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' B' ' 17' ' ' LYS . 25.5 mt-30 -118.87 112.62 19.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.57 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.617 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 39.5 t -65.57 -86.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.905 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.503 ' HB3' ' HB2' ' B' ' 81' ' ' SER . 25.2 tpt180 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.76 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 58.6 ttp . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.793 0.33 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 174.58 -125.83 1.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.584 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 79.9 p -146.3 148.78 32.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 77.3 p -149.59 -51.0 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -84.58 171.56 12.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -82.31 -35.95 27.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.774 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -103.61 155.32 18.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 66.1 m80 -130.51 150.03 51.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -133.59 -35.77 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 43.6 t60 -81.93 114.06 20.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.774 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 47.9 t -80.77 124.78 29.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.803 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.7 t -131.9 -28.6 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 170.92 -3.06 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.531 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 92.8 mt -87.58 118.51 27.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.763 0.316 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 18.7 m -95.04 149.43 36.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -57.91 136.57 76.01 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.586 2.191 . . . . 0.0 112.188 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -103.86 157.63 16.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.793 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -159.16 173.64 36.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.532 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 80.4 p -144.82 -179.89 6.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -84.35 91.91 7.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 67.2 mtt -144.92 162.12 37.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.749 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -100.72 117.35 34.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.624 ' H ' ' HG2' ' B' ' 22' ' ' GLN . 24.5 mmmt -85.67 154.21 58.72 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.321 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.489 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 22.4 Cg_exo -64.86 -57.99 0.25 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.751 2.301 . . . . 0.0 109.482 178.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.541 ' HA ' ' HB2' ' B' ' 23' ' ' GLU . 5.9 t -157.5 65.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 113.649 -1.614 . . . . 0.0 109.943 178.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.6 p -51.8 105.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.039 0.447 . . . . 0.0 110.88 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.3 m -72.07 163.1 28.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.566 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.497 HD21 ' SG ' ' B' ' 13' ' ' CYS . 61.1 tp -150.78 144.77 25.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.657 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -143.42 -45.49 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.01 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.415 ' HB2' ' HB2' ' B' ' 12' ' ' ASP . 10.1 m-20 -62.95 170.84 2.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.995 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.98 -45.58 2.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -74.0 -25.59 59.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.415 ' HB2' ' HB2' ' B' ' 9' ' ' ASP . 7.2 m-20 -78.83 -2.48 39.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.497 ' SG ' HD21 ' B' ' 7' ' ' LEU . 75.3 m -74.28 -87.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.522 ' O ' ' N ' ' B' ' 16' ' ' LEU . 50.6 m 64.47 165.04 0.12 Allowed Pre-proline 0 C--N 1.333 -0.134 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 51.7 Cg_exo -53.1 78.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.393 2.062 . . . . 0.0 112.148 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' B' ' 14' ' ' SER . 54.4 tp -74.63 129.36 37.59 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.221 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -83.22 108.75 16.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.851 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.531 ' HB3' HG21 ' B' ' 78' ' ' VAL . 10.9 mp -99.8 -175.51 2.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.5 m -159.89 149.92 18.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.63 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.707 HE21 ' HA ' ' B' ' 80' ' ' ALA . 91.1 mt-30 -55.79 104.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 134.91 5.89 2.36 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.481 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.624 ' HG2' ' H ' ' B' ' 2' ' ' LYS . 18.2 mt-30 -110.6 132.03 54.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.835 0.35 . . . . 0.0 110.72 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.541 ' HB2' ' HA ' ' B' ' 4' ' ' VAL . 40.6 mt-10 -109.9 171.03 7.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.091 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.47 HD23 ' N ' ' B' ' 25' ' ' VAL . 8.0 tt -161.61 144.23 12.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.989 0.423 . . . . 0.0 111.599 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.47 ' N ' HD23 ' B' ' 24' ' ' LEU . 93.9 t -136.52 108.1 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.46 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.505 HD23 HD21 ' B' ' 28' ' ' LEU . 37.6 tp -78.31 146.65 34.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.363 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.6 m -106.05 109.44 21.38 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.942 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.678 ' N ' ' HD2' ' B' ' 29' ' ' PRO . 3.1 mm? -106.65 -19.38 0.17 Allowed Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.678 ' HD2' ' N ' ' B' ' 28' ' ' LEU . 42.7 Cg_exo -32.05 104.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 122.475 2.117 . . . . 0.0 113.127 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.412 ' HB2' ' HE1' ' B' ' 38' ' ' TRP . 22.8 t -113.68 -74.48 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.886 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . 0.524 HD22 HG21 ' B' ' 34' ' ' THR . 2.1 p-10 -168.96 87.67 0.63 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . 0.454 ' O ' HG23 ' B' ' 34' ' ' THR . 23.6 Cg_exo -64.24 -172.68 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.597 2.198 . . . . 0.0 112.34 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 37.8 p 53.94 21.3 2.77 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.652 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.524 HG21 HD22 ' B' ' 31' ' ' ASN . 61.1 p -115.86 -61.82 1.68 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.929 0.395 . . . . 0.0 111.066 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.05 -37.3 1.34 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.395 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -87.43 105.2 17.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.952 0.406 . . . . 0.0 111.16 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -115.09 -167.53 1.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.921 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.412 ' HE1' ' HB2' ' B' ' 30' ' ' SER . 92.6 m95 -110.06 101.5 10.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.997 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -81.66 135.9 35.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.647 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 tt -87.6 111.23 21.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.893 0.378 . . . . 0.0 110.77 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -79.5 -62.04 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.146 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.428 ' HB3' ' HB2' ' B' ' 87' ' ' GLU . 57.4 t30 -125.58 102.53 29.27 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.995 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -80.21 4.06 7.12 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.554 2.169 . . . . 0.0 112.854 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.459 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 54.64 27.37 8.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.59 -11.85 2.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.564 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.7 t -61.22 -30.11 70.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.291 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 26.4 m -131.91 -15.36 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.681 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.459 HD12 ' HB3' ' B' ' 44' ' ' ALA . 78.8 mt -106.84 142.53 36.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 0.0 111.319 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.403 ' CG ' ' H ' ' B' ' 50' ' ' ARG . 0.3 OUTLIER -125.35 -150.45 0.45 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.167 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.403 ' H ' ' CG ' ' B' ' 49' ' ' LYS . 0.6 OUTLIER 61.16 20.75 11.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.941 0.401 . . . . 0.0 111.02 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.407 ' H ' ' HG ' ' B' ' 51' ' ' LEU . 3.9 mt -76.36 -171.58 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.841 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.94 -176.43 44.34 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.54 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.91 177.48 6.33 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.581 2.188 . . . . 0.0 112.344 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -90.11 142.44 27.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 7.1 p -80.81 127.71 39.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.043 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -173.08 148.0 1.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.795 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 41.5 t -144.95 142.06 29.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -119.79 -16.98 8.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 79.1 p -80.1 -0.75 37.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.64 107.28 0.43 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.171 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -69.31 -54.89 12.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.537 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -96.13 167.41 11.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.345 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 59.1 m -57.42 98.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -106.71 76.6 0.23 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.125 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 28.2 mt -123.47 89.45 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.162 0.506 . . . . 0.0 110.793 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 58.1 t -139.08 -67.41 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -176.13 19.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.517 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 42.6 m -136.46 -12.01 1.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.28 98.56 0.34 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.456 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.92 -163.75 18.43 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.424 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.44 ' HG2' ' HB3' ' B' ' 29' ' ' PRO . 2.3 mp0 57.97 -174.6 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.905 0.383 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . 0.414 ' HB2' ' HB2' ' B' ' 28' ' ' LEU . 70.0 m -128.49 131.74 48.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.59 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 62.5 m -138.8 136.91 36.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.283 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -129.04 127.29 41.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.829 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -123.69 140.63 52.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.772 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.407 ' HE1' HD22 ' B' ' 24' ' ' LEU . 0.0 OUTLIER -150.8 171.81 16.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.95 0.405 . . . . 0.0 110.942 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' B' ' 78' ' ' VAL . 3.4 tmm_? -154.87 135.96 13.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.349 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' B' ' 18' ' ' LEU . 46.6 t -55.95 111.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.245 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.69 -23.03 12.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.414 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.707 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -160.88 155.82 24.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.168 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.531 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 55.4 p -64.13 -175.57 0.16 Allowed 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.019 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.62 159.91 11.28 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.606 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -105.87 126.13 51.81 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.724 0.297 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -144.79 -171.4 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . 0.423 ' HG3' ' HA ' ' B' ' 107' ' ' ALA . 79.3 ttt180 -162.19 126.31 3.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.952 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.585 ' HG ' HD12 ' B' ' 108' ' ' ILE . 14.0 mt -72.62 143.03 48.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 110.875 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.428 ' HB2' ' HB3' ' B' ' 42' ' ' ASN . 69.1 mm-40 -139.0 111.42 7.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.3 mp -127.48 122.18 32.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 110.737 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.453 HG22 ' N ' ' B' ' 90' ' ' TYR . 11.3 p -104.86 160.37 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.175 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' TYR . . . . . 0.453 ' N ' HG22 ' B' ' 89' ' ' VAL . 58.5 t80 -108.68 104.53 13.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.084 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.544 ' HD3' ' HB3' ' B' ' 100' ' ' PRO . 38.1 ptt180 -175.69 159.55 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.665 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.537 ' HB3' ' NE1' ' B' ' 94' ' ' TRP . 91.3 mtt180 -51.78 108.87 1.17 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.085 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -79.15 35.4 0.56 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.784 2.323 . . . . 0.0 114.603 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' TRP . . . . . 0.537 ' NE1' ' HB3' ' B' ' 92' ' ' ARG . 25.9 p-90 -131.55 -11.41 3.52 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.475 ' HG2' ' CZ3' ' B' ' 94' ' ' TRP . 32.5 mt-10 -72.13 -173.05 0.98 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.094 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -110.02 -41.11 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.502 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -172.66 93.31 0.12 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.654 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -126.56 165.82 18.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.108 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -81.11 116.85 65.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . 0.544 ' HB3' ' HD3' ' B' ' 91' ' ' ARG . 94.7 Cg_endo -78.39 170.25 18.76 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.66 2.24 . . . . 0.0 112.497 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -102.45 -54.79 2.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.963 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -107.12 -176.53 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.087 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 37.1 m -161.78 172.76 15.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.754 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -165.67 145.65 6.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.691 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 93.0 p -170.43 137.87 1.47 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.103 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 96.9 m -145.65 136.56 24.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.035 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.423 ' HA ' ' HG3' ' B' ' 85' ' ' ARG . . . -73.03 139.33 46.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.269 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . 0.585 HD12 ' HG ' ' B' ' 86' ' ' LEU . 83.0 mt -142.94 112.82 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -133.08 124.82 28.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.586 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.531 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 43.6 t -66.01 -85.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.144 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.829 179.882 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 30.9 mmt . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.813 0.34 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 152.77 52.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 80.3 p -141.44 -42.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.671 0.272 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 79.7 p -95.85 114.37 26.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -100.66 176.76 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -95.45 -39.3 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 -138.62 164.23 30.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -109.53 139.84 44.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.796 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -116.71 118.73 33.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.753 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -80.24 -66.43 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.6 p -161.05 144.12 12.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.7 t -83.56 -19.08 36.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 142.96 142.63 4.03 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.26 114.98 5.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.373 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . 0.494 HG12 ' H ' ' B' ' -4' ' ' ARG . 58.3 t -88.96 129.2 49.17 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.999 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' -5' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' -6' ' ' VAL . 27.6 Cg_exo -61.53 -32.7 88.2 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.532 2.155 . . . . 0.0 112.274 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' -4' ' ' ARG . . . . . 0.494 ' H ' HG12 ' B' ' -6' ' ' VAL . 26.3 mmm180 -90.43 144.6 25.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 132.22 -78.37 0.37 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.527 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 49.1 m -138.76 176.98 8.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -133.05 -29.99 1.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.594 ' HB3' HH12 ' B' ' 77' ' ' ARG . 26.8 ptt? -67.12 173.24 3.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -133.4 -74.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.826 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.546 ' H ' ' HG2' ' B' ' 22' ' ' GLN . 32.1 mmmt -80.65 149.41 67.86 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-O 121.169 0.509 . . . . 0.0 111.661 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -81.69 33.56 0.53 Allowed 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 123.624 2.883 . . . . 0.0 109.862 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.564 HG12 HG22 ' B' ' 25' ' ' VAL . 35.5 t 92.76 67.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 113.54 -1.664 . . . . 0.0 109.473 -178.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.483 ' O ' HG13 ' B' ' 5' ' ' VAL . 7.7 p -54.4 107.78 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.142 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.551 HG23 HG23 ' B' ' 25' ' ' VAL . 1.9 m -66.07 162.04 20.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.095 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.615 ' HB2' HD11 ' B' ' 24' ' ' LEU . 63.8 tp -134.96 146.46 49.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.973 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -157.38 11.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.757 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -125.26 -175.28 3.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.702 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.73 6.68 9.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -122.82 -28.57 4.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -84.23 13.31 5.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.461 ' HB3' ' HB3' ' B' ' 106' ' ' CYS . 10.9 m -76.68 0.53 20.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.044 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.553 ' O ' ' HA ' ' B' ' 108' ' ' ILE . 50.6 m 65.62 68.33 0.69 Allowed Pre-proline 0 N--CA 1.453 -0.305 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.464 ' HA ' ' C ' ' B' ' 107' ' ' ALA . 50.2 Cg_endo -69.48 32.44 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.059 2.506 . . . . 0.0 112.805 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.59 ' HA ' ' HB2' ' B' ' 109' ' ' GLN . 2.8 pp -174.38 -154.02 0.05 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.509 ' HA ' ' O ' ' B' ' 109' ' ' GLN . 11.4 mtpp -33.43 104.75 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.805 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.484 ' HB3' HG22 ' B' ' 110' ' ' VAL . 13.6 tp -104.07 176.86 5.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.783 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.414 ' H ' ' HG ' ' B' ' 18' ' ' LEU . 71.8 p -119.6 112.98 20.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.943 0.401 . . . . 0.0 111.643 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.455 ' HA ' ' HB ' ' B' ' 78' ' ' VAL . 59.6 mt-30 -58.13 124.26 18.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.555 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.73 -13.94 9.22 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.217 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.546 ' HG2' ' H ' ' B' ' 2' ' ' LYS . 11.9 mt-30 -83.69 132.84 34.84 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.345 0.593 . . . . 0.0 110.753 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.539 ' CB ' HG22 ' B' ' 4' ' ' VAL . 30.7 mt-10 -98.31 169.29 9.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.204 179.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' B' ' 7' ' ' LEU . 8.3 tt -158.82 152.42 23.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.114 0.483 . . . . 0.0 111.851 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.564 HG22 HG12 ' B' ' 4' ' ' VAL . 3.2 m -143.42 145.49 22.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.647 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 60.0 tp -141.4 137.81 32.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.933 0.397 . . . . 0.0 111.011 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 86.6 m -132.36 126.89 34.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.991 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 85.6 mt -134.85 149.68 71.26 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.734 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.504 ' HB3' ' HB ' ' B' ' 66' ' ' VAL . 63.3 Cg_endo -73.06 145.93 40.47 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.505 2.137 . . . . 0.0 112.139 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 85.2 p -154.39 -24.35 0.13 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 61.58 103.32 0.03 OUTLIER Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.704 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . 0.412 ' HA ' ' NH2' ' B' ' 37' ' ' ARG . 52.1 Cg_exo -53.06 145.06 43.77 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.436 2.091 . . . . 0.0 112.514 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 33.8 m 56.98 81.29 0.14 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.387 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 26.1 p -147.11 -61.22 0.28 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.129 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.12 -46.76 0.63 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.159 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' B' ' 91' ' ' ARG . 6.6 m-85 -94.89 106.82 18.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.439 ' HB2' ' HD3' ' B' ' 93' ' ' PRO . 23.5 mmt180 -104.93 -158.32 0.66 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.928 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.434 ' CZ3' ' HB2' ' B' ' 90' ' ' TYR . 86.1 m95 -122.41 109.83 14.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.445 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -92.13 122.88 35.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.071 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.21 100.01 12.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.437 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' B' ' 41' ' ' ARG . 4.3 mmp_? -69.94 -63.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.211 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.569 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 50.4 t-20 -111.98 97.22 37.39 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.023 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -78.46 -0.48 10.75 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.507 2.138 . . . . 0.0 112.444 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.03 22.33 5.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.1 -8.9 3.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.223 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.0 t -69.3 -29.74 67.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.477 HG23 ' HG ' ' B' ' 48' ' ' LEU . 35.1 m -130.85 -43.53 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.526 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.515 HD22 HG22 ' B' ' 78' ' ' VAL . 18.2 mt -84.86 114.8 22.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.579 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -73.99 137.03 43.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -81.77 153.73 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.277 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.654 HD11 ' HB2' ' B' ' 77' ' ' ARG . 80.3 mt -120.02 93.18 3.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.64 167.23 1.96 Allowed Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.78 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -58.44 -170.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.848 2.366 . . . . 0.0 112.551 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.06 -6.18 49.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.114 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 49.3 t 65.75 131.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.304 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -165.27 128.67 2.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.756 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -103.3 150.84 23.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.943 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -102.1 -3.61 27.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.9 t -79.33 165.52 23.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -81.77 137.32 35.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -132.73 135.86 46.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -136.57 109.94 7.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 57.6 m -153.53 -176.02 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.54 55.99 5.01 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.488 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.9 mt -97.48 175.0 6.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.881 0.372 . . . . 0.0 110.94 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.504 ' HB ' ' HB3' ' B' ' 29' ' ' PRO . 23.6 t -78.93 -24.91 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -117.82 -174.12 16.5 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.446 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 67.9 p -139.53 105.86 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.733 0.302 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 133.25 -57.81 0.7 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.456 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -154.81 -172.64 22.78 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.445 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -159.69 135.85 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.367 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 80.5 p -73.11 125.42 27.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.715 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 56.7 m -128.31 142.15 51.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 16.6 m-90 -125.76 154.24 42.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.785 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.568 ' HG2' HD12 ' B' ' 51' ' ' LEU . 76.4 ttt180 -150.16 131.74 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.472 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -138.54 164.91 28.23 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.114 0.483 . . . . 0.0 111.722 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.654 ' HB2' HD11 ' B' ' 51' ' ' LEU . 4.1 tpp180 -147.54 128.2 14.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.325 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.515 HG22 HD22 ' B' ' 48' ' ' LEU . 6.5 t -78.74 120.34 29.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.481 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.56 -43.61 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.45 177.82 7.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.096 0.475 . . . . 0.0 111.76 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.715 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 10.3 p -82.76 -168.88 2.21 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.006 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 117.4 154.94 10.04 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.363 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.94 120.65 30.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -139.43 172.29 13.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -160.06 104.5 1.51 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.414 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.456 ' HG ' HD11 ' B' ' 88' ' ' LEU . 8.1 tp -61.12 136.72 58.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.684 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.569 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 16.6 mt-10 -136.57 120.46 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.203 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.456 HD11 ' HG ' ' B' ' 86' ' ' LEU . 4.5 mp -135.78 151.92 50.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.659 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 23.7 m -143.55 166.45 13.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.098 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' TYR . . . . . 0.606 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 56.6 t80 -117.36 102.48 9.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.426 ' HA ' ' CD2' ' B' ' 36' ' ' PHE . 38.1 ptt180 -166.57 177.98 6.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.726 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.493 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 72.3 mtt180 -53.85 121.55 29.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.407 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' PRO . . . . . 0.439 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 73.5 Cg_endo -72.78 5.94 2.68 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.65 2.233 . . . . 0.0 113.588 -178.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' TRP . . . . . 0.493 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 18.5 p90 -114.19 12.97 17.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.917 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -110.14 155.73 21.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.026 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -94.96 -53.92 3.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.567 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -140.0 101.14 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.421 ' H ' ' NH1' ' B' ' 91' ' ' ARG . . . -133.11 -170.86 2.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -104.03 97.26 10.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.37 136.77 27.02 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.414 2.076 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.0 -44.74 95.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.046 0.451 . . . . 0.0 110.986 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.606 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 17.9 mt-10 -109.24 -173.04 2.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.595 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.0 p -173.14 154.07 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.717 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -155.51 110.34 2.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 91.9 p -120.59 148.55 43.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' CYS . . . . . 0.461 ' HB3' ' HB3' ' B' ' 13' ' ' CYS . 53.3 m -151.81 133.08 14.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.124 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.514 ' O ' HG13 ' B' ' 108' ' ' ILE . . . -98.73 151.44 20.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . 0.553 ' HA ' ' O ' ' B' ' 14' ' ' SER . 96.3 mt -157.86 111.68 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.494 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . 0.59 ' HB2' ' HA ' ' B' ' 16' ' ' LEU . 21.9 mt-30 -112.96 103.8 11.77 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.715 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 3.3 t -90.49 148.36 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.082 0.467 . . . . 0.0 111.486 -179.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.6 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 25.0 tpt180 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.816 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 94.3 mmm . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.725 0.298 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -148.56 12.37 1.16 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.569 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 52.7 m -93.35 139.43 30.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.781 0.324 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 47.4 t -119.16 105.44 11.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -139.79 146.21 39.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -94.4 -178.34 4.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -63.79 -41.6 97.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.775 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -160.39 115.77 2.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.786 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -79.92 128.24 33.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -70.18 124.57 24.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.3 p -115.13 152.11 33.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 81.9 p -88.82 178.48 6.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 159.87 29.22 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.627 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 89.4 mt -94.55 10.43 34.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 0.0 110.922 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 39.7 t -96.21 109.38 46.93 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -64.56 -172.73 0.2 Allowed 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.485 2.123 . . . . 0.0 112.445 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -81.45 -48.86 11.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 82.2 84.27 0.81 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 80.3 p -85.61 117.7 24.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.985 0.421 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -151.83 -39.02 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.808 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 51.4 ttm -112.45 142.3 45.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -77.58 -168.43 1.18 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.635 ' HG2' HG23 ' B' ' 5' ' ' VAL . 0.0 OUTLIER -91.44 122.07 66.52 Favored Pre-proline 0 CA--C 1.518 -0.277 0 CA-C-O 120.686 0.279 . . . . 0.0 111.426 -179.749 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 27.9 Cg_exo -64.53 -8.9 18.49 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.443 2.095 . . . . 0.0 110.033 178.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.646 ' HB ' ' HB2' ' B' ' 23' ' ' GLU . 5.8 p 168.02 83.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 114.054 -1.43 . . . . 0.0 111.306 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.635 HG23 ' HG2' ' B' ' 2' ' ' LYS . 0.3 OUTLIER -58.53 144.47 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.298 179.255 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.54 171.01 8.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.056 0.455 . . . . 0.0 112.15 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.405 ' HB2' HD13 ' B' ' 26' ' ' LEU . 74.5 mt -147.78 -177.23 5.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.635 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -178.3 -24.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.034 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -120.92 126.89 51.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.55 -36.9 83.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.21 -32.24 73.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.779 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -76.92 -9.16 58.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 91.1 m -84.46 139.14 32.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.024 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.57 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 13.5 m -156.09 164.1 22.54 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.055 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.57 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 15.7 Cg_endo -58.07 80.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.113 1.875 . . . . 0.0 111.44 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' B' ' 14' ' ' SER . 57.3 tp -81.3 142.21 33.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.966 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' B' ' 109' ' ' GLN . 23.5 mtpp -83.55 99.35 10.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.342 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.427 HD12 HG21 ' B' ' 78' ' ' VAL . 0.5 OUTLIER -86.51 -169.02 2.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.602 -179.303 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.45 HG23 ' HE ' ' B' ' 111' ' ' ARG . 0.2 OUTLIER -168.29 139.04 2.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.682 -179.847 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' B' ' 80' ' ' ALA . 71.4 mt-30 -56.24 118.07 4.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.778 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.426 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 136.27 -17.41 3.8 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.198 -179.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.491 ' O ' ' HD2' ' B' ' 77' ' ' ARG . 19.0 mt-30 -96.29 165.73 12.07 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 120.944 0.402 . . . . 0.0 110.104 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.646 ' HB2' ' HB ' ' B' ' 4' ' ' VAL . 32.8 mt-10 -122.55 -175.51 3.16 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.181 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.458 ' N ' HG23 ' B' ' 4' ' ' VAL . 4.1 tt -162.8 99.84 1.0 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.651 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.585 HG13 ' HG2' ' B' ' 75' ' ' ARG . 95.7 t -113.93 98.02 6.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.532 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.405 HD13 ' HB2' ' B' ' 7' ' ' LEU . 14.1 tp -90.49 159.3 16.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.04 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.472 HG21 HG11 ' B' ' 66' ' ' VAL . 82.1 m -153.16 118.47 5.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.422 HD22 ' N ' ' B' ' 28' ' ' LEU . 3.7 mm? -115.04 150.22 43.86 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -83.17 118.56 2.66 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.639 2.226 . . . . 0.0 112.257 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.413 ' HB3' ' HE1' ' B' ' 38' ' ' TRP . 80.1 p -153.09 117.03 4.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.955 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . 0.429 ' HB2' HG23 ' B' ' 34' ' ' THR . 2.4 m-20 -70.5 130.45 89.06 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.677 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -77.15 9.28 2.84 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.773 2.316 . . . . 0.0 112.61 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 75.8 p -113.59 10.19 18.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.251 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.429 HG23 ' HB2' ' B' ' 31' ' ' ASN . 41.7 p -96.8 -72.65 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.329 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.64 -27.05 2.23 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.908 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.42 ' HE1' ' HE ' ' B' ' 92' ' ' ARG . 5.8 m-85 -93.42 101.45 13.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.108 0.48 . . . . 0.0 110.999 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.407 ' HB2' ' HD3' ' B' ' 93' ' ' PRO . 6.9 mpt_? -94.76 -155.5 0.47 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.703 179.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.413 ' HE1' ' HB3' ' B' ' 30' ' ' SER . 93.3 m95 -124.49 125.34 44.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -104.59 160.94 14.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.262 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.573 HD23 ' HG ' ' B' ' 88' ' ' LEU . 20.0 mt -113.21 109.65 19.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.207 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.502 HH11 HH22 ' B' ' 91' ' ' ARG . 21.9 mmm180 -85.33 -13.65 48.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.074 0.464 . . . . 0.0 110.198 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.585 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 53.3 t-20 -163.47 88.27 1.23 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.23 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -73.14 6.09 2.75 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.582 2.188 . . . . 0.0 112.814 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.408 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 57.53 27.69 14.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.981 0.419 . . . . 0.0 110.989 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.72 -4.09 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.397 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 53.0 m -76.79 -33.27 58.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.181 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 18.7 m -130.46 -40.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.761 0.315 . . . . 0.0 111.517 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.408 HD12 ' HB3' ' B' ' 44' ' ' ALA . 38.3 mt -77.13 155.96 31.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.06 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.411 ' CG ' ' H ' ' B' ' 50' ' ' ARG . 0.3 OUTLIER -133.87 -161.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.453 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.574 ' HB2' ' HB3' ' B' ' 77' ' ' ARG . 6.5 tpm_? 59.65 19.75 8.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.054 0.455 . . . . 0.0 110.601 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.437 HD13 ' CD1' ' B' ' 76' ' ' PHE . 4.2 mm? -45.15 -43.84 10.25 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.884 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.99 -179.36 18.81 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.583 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -79.01 -171.1 1.15 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.779 2.319 . . . . 0.0 112.492 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -93.19 131.11 38.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.69 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.411 HG22 ' CD2' ' B' ' 56' ' ' TYR . 8.3 p -68.05 130.6 33.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . 0.411 ' CD2' HG22 ' B' ' 55' ' ' VAL . 47.7 m-85 54.94 94.38 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.138 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.5 p -160.64 -14.79 0.05 OUTLIER 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -91.72 179.66 5.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 80.0 p -81.48 162.3 23.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 60.69 104.83 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.117 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -60.83 111.68 1.74 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.962 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -78.24 155.52 30.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.668 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.1 m -85.12 40.6 0.83 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.999 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.1 45.03 2.92 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.26 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.456 HD22 ' HA2' ' B' ' 69' ' ' GLY . 43.1 mt -60.71 147.49 42.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.795 0.331 . . . . 0.0 110.97 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.472 HG11 HG21 ' B' ' 27' ' ' THR . 59.2 t -113.37 -30.04 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.78 -101.6 0.18 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.596 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 75.3 p -60.03 -42.1 93.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.733 0.301 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . 0.456 ' HA2' HD22 ' B' ' 65' ' ' LEU . . . 143.36 89.48 0.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.83 89.53 1.84 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.544 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -142.17 148.67 38.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.754 0.311 . . . . 0.0 110.808 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 54.3 m -63.77 151.32 42.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 61.4 m -136.48 130.4 32.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.167 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.418 ' O ' ' HA ' ' B' ' 25' ' ' VAL . 73.4 m95 -127.33 129.51 47.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.621 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.585 ' HG2' HG13 ' B' ' 25' ' ' VAL . 96.4 mtt180 -135.85 132.98 37.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.529 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 6.2 m-85 -147.11 168.18 22.26 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.513 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.574 ' HB3' ' HB2' ' B' ' 50' ' ' ARG . 9.4 tpt180 -145.98 133.41 20.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.471 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.427 HG21 HD12 ' B' ' 18' ' ' LEU . 24.5 t -68.51 110.36 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.887 0.375 . . . . 0.0 110.736 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.34 -47.91 4.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.579 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.419 ' HA ' ' NE2' ' B' ' 20' ' ' GLN . . . -133.58 157.9 44.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.192 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.622 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 51.8 p -71.25 -170.74 0.51 Allowed 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.38 163.81 12.27 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.586 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.516 ' HB3' HE21 ' B' ' 109' ' ' GLN . 3.2 p-10 -98.93 110.03 22.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 110.94 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -123.65 -176.79 3.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.723 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -159.82 113.23 2.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.725 HD12 HD11 ' B' ' 88' ' ' LEU . 0.5 OUTLIER -66.76 137.13 56.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.647 179.714 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.585 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 27.6 mt-10 -135.55 120.8 19.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.986 0.422 . . . . 0.0 111.214 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.725 HD11 HD12 ' B' ' 86' ' ' LEU . 4.2 mp -133.98 152.28 51.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.314 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' B' ' 103' ' ' SER . 19.1 m -140.87 163.15 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 111.124 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -106.81 101.98 11.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.184 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.502 HH22 HH11 ' B' ' 41' ' ' ARG . 39.3 ptt180 -164.84 172.12 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.649 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.513 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 72.6 mtt180 -58.82 138.85 86.88 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.438 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' PRO . . . . . 0.407 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 89.6 Cg_endo -79.23 -15.12 12.93 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.546 2.164 . . . . 0.0 113.277 -178.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' TRP . . . . . 0.513 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 6.4 p90 -94.2 9.42 38.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.671 0.272 . . . . 0.0 111.307 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -112.27 116.29 30.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.948 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 48.0 tttm -69.72 -38.65 76.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -140.42 101.87 4.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.793 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.63 135.26 16.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -56.41 110.33 2.28 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.797 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . 0.408 ' HB3' ' HD3' ' B' ' 91' ' ' ARG . 78.1 Cg_endo -78.32 152.56 27.1 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.338 2.025 . . . . 0.0 112.37 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.64 -69.38 0.52 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.681 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -90.6 -165.25 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.012 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' B' ' 89' ' ' VAL . 43.3 t -171.23 165.95 7.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.961 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -168.93 106.47 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 79.7 p -129.25 141.99 50.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.847 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 85.9 m -134.88 153.61 51.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.274 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.97 141.32 31.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . 0.552 HD12 HD23 ' B' ' 86' ' ' LEU . 96.0 mt -144.95 121.51 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.077 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . 0.516 HE21 ' HB3' ' B' ' 83' ' ' ASP . 54.0 mt-30 -135.62 106.98 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.728 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.622 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 21.4 t -65.46 -79.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.127 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.51 ' HG2' HG12 ' B' ' 110' ' ' VAL . 37.3 mmt180 . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.146 -0.93 . . . . 0.0 111.066 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.821 0.343 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 169.99 -148.12 11.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 47.1 t -90.45 -15.96 29.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 48.0 t -85.32 103.26 14.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -166.31 112.93 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.801 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -138.95 -1.51 1.78 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -69.97 111.06 5.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -147.24 104.12 3.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -139.38 134.6 32.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -84.62 138.98 32.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.1 p -99.81 170.82 8.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 78.6 p -150.69 128.79 11.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -84.32 69.54 3.32 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.454 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 91.1 mt -79.78 116.45 19.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . 0.565 ' HB ' ' HD3' ' B' ' -5' ' ' PRO . 96.7 t -77.22 -48.31 2.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.495 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' -5' ' ' PRO . . . . . 0.565 ' HD3' ' HB ' ' B' ' -6' ' ' VAL . 24.6 Cg_exo -62.7 136.58 58.77 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.207 1.938 . . . . 0.0 112.227 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -135.05 6.21 3.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -119.71 138.33 13.14 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.545 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 79.0 p -95.26 114.42 26.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.692 0.282 . . . . 0.0 110.989 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 66.1 m80 -136.14 177.2 8.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 26.6 mmt -88.02 10.77 17.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -72.47 98.44 2.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.624 ' HB2' HG12 ' B' ' 5' ' ' VAL . 25.0 mmmt -117.56 144.4 34.12 Favored Pre-proline 0 CA--C 1.518 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.51 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.501 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 51.9 Cg_exo -55.04 -31.06 73.04 Favored 'Trans proline' 0 CA--C 1.507 -0.845 0 C-N-CA 122.587 2.192 . . . . 0.0 109.967 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.577 HG22 ' HB2' ' B' ' 23' ' ' GLU . 92.8 t -155.65 84.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 113.668 -1.605 . . . . 0.0 110.337 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.624 HG12 ' HB2' ' B' ' 2' ' ' LYS . 3.2 m -62.62 156.65 4.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 110.21 -0.292 . . . . 0.0 110.21 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.41 151.1 39.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.814 0.34 . . . . 0.0 111.662 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.48 HD21 ' SG ' ' B' ' 13' ' ' CYS . 68.2 tp -141.65 154.32 45.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.71 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -163.1 15.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.429 ' HB2' ' HB2' ' B' ' 12' ' ' ASP . 10.0 m-20 -132.42 -177.95 4.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.75 -43.91 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -84.51 -27.12 27.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.429 ' HB2' ' HB2' ' B' ' 9' ' ' ASP . 10.0 m-20 -81.08 10.65 4.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.029 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.48 ' SG ' HD21 ' B' ' 7' ' ' LEU . 99.3 m -77.39 -80.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.486 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.666 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 40.2 m 67.54 169.12 0.11 Allowed Pre-proline 0 N--CA 1.461 0.079 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.666 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 7.4 Cg_endo -48.49 81.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.03 1.82 . . . . 0.0 111.769 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.659 ' HB2' HG12 ' B' ' 108' ' ' ILE . 11.0 mt -55.11 -168.09 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.368 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.59 ' HD3' HG23 ' B' ' 108' ' ' ILE . 5.3 mptp? 53.6 -154.94 0.23 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.436 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.469 ' H ' ' HB3' ' B' ' 17' ' ' LYS . 17.0 tp 174.39 -51.67 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.484 0.659 . . . . 0.0 110.83 -178.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.539 ' HA ' ' H ' ' B' ' 111' ' ' ARG . 49.0 m -153.49 145.49 23.66 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.684 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -51.02 148.25 4.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.455 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 108.39 11.73 22.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.344 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -119.32 162.95 17.9 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.577 ' HB2' HG22 ' B' ' 4' ' ' VAL . 38.8 mt-10 -138.61 -171.59 3.1 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.424 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.529 HD12 HG23 ' B' ' 5' ' ' VAL . 0.8 OUTLIER -158.39 145.59 17.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.535 179.684 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.605 HG22 ' HG2' ' B' ' 75' ' ' ARG . 48.5 t -139.93 100.49 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.165 179.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.2 tp -103.57 146.56 28.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.339 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 58.7 m -142.54 108.04 5.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.7 mt -119.44 156.38 53.23 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.027 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -80.21 149.44 19.58 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.547 2.165 . . . . 0.0 112.289 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 68.9 p -154.49 -32.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 60.16 101.81 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.75 -9.87 12.76 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.48 2.12 . . . . 0.0 112.341 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 48.2 m -73.3 -29.07 62.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.269 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 45.3 p -74.03 -72.75 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.362 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.85 -23.9 2.75 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.958 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -87.19 97.84 10.99 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.408 0.623 . . . . 0.0 111.041 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -88.55 -155.85 0.35 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.306 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -126.06 119.4 27.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.775 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -96.71 150.49 20.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.599 HD23 ' HG ' ' B' ' 88' ' ' LEU . 68.8 mt -101.89 103.29 13.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.298 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.512 ' HD3' HH21 ' B' ' 91' ' ' ARG . 29.9 mmm180 -81.68 -14.81 56.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.223 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.566 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 56.3 t-20 -166.75 86.87 0.84 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.487 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.0 18.49 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.478 2.118 . . . . 0.0 112.627 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.15 26.17 9.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.25 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.27 -9.36 4.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.183 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 51.0 m -68.62 -33.67 74.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' B' ' 80' ' ' ALA . 30.4 m -129.17 -45.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.579 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.592 HD22 HG22 ' B' ' 78' ' ' VAL . 13.4 mt -81.85 134.58 35.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.984 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -91.08 138.44 31.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.68 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -83.9 137.92 33.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.446 ' N ' HD12 ' B' ' 51' ' ' LEU . 7.5 mp -83.49 -29.84 27.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.77 -168.39 13.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.495 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.31 114.98 3.81 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.633 2.222 . . . . 0.0 112.261 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -151.4 117.11 5.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.715 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.48 HG12 ' HB ' ' B' ' 73' ' ' THR . 18.5 m -138.41 -179.06 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 59.22 23.61 11.97 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.046 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.439 ' HB3' HH21 ' B' ' 75' ' ' ARG . 49.3 m -59.91 149.21 32.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.97 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -130.26 121.53 26.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.013 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 54.1 m -147.47 -61.57 0.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -132.31 148.82 52.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -67.79 -39.28 84.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -92.32 102.97 15.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 52.8 m -151.49 -7.36 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.51 8.99 10.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.609 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 75.7 mt -61.16 125.43 23.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.736 0.303 . . . . 0.0 110.836 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.7 p -82.3 -24.03 9.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.954 0.407 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -157.53 -118.39 0.55 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.508 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 73.2 p -141.53 3.25 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.319 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.45 -41.87 94.09 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.439 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 134.28 -42.86 1.31 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 58.2 -177.98 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.8 0.333 . . . . 0.0 111.227 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 46.0 t -70.38 149.82 46.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.48 ' HB ' HG12 ' B' ' 55' ' ' VAL . 89.0 m -141.17 131.11 24.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.97 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.466 ' O ' ' HA ' ' B' ' 25' ' ' VAL . 11.2 m-90 -123.19 133.27 54.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.333 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.605 ' HG2' HG22 ' B' ' 25' ' ' VAL . 87.5 mtt180 -129.79 123.35 30.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.546 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -133.41 150.12 51.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.039 0.447 . . . . 0.0 111.61 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.455 ' NH2' ' HA2' ' B' ' 21' ' ' GLY . 12.7 tpt180 -127.25 153.65 45.85 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.329 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.592 HG22 HD22 ' B' ' 48' ' ' LEU . 11.3 t -105.92 115.17 47.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.814 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -128.2 -12.38 5.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.585 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' B' ' 47' ' ' VAL . . . -124.15 156.34 36.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.372 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.674 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 10.7 p -94.0 179.4 5.34 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.497 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.54 170.25 29.08 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.351 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.08 162.11 14.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.999 0.428 . . . . 0.0 110.971 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.465 ' OD1' ' HB ' ' B' ' 108' ' ' ILE . 8.5 p-10 -166.62 -176.41 3.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.052 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -157.88 116.98 3.21 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.752 0.311 . . . . 0.0 111.157 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.439 HD12 ' O ' ' B' ' 42' ' ' ASN . 12.7 tp -73.66 132.6 42.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.34 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.566 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 23.5 mt-10 -127.25 127.39 44.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 0.0 111.538 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.599 ' HG ' HD23 ' B' ' 40' ' ' LEU . 5.2 mp -136.17 156.67 48.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.438 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 34.1 m -141.44 157.82 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 111.224 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -104.74 93.37 4.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.532 ' HD3' ' HG3' ' B' ' 100' ' ' PRO . 37.8 ptt180 -163.7 -175.13 3.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.087 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.464 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 65.3 mtt180 -81.34 122.8 81.47 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 21.5 Cg_exo -66.28 -13.23 38.98 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.936 2.424 . . . . 0.0 113.602 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' TRP . . . . . 0.464 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 39.3 p90 -100.09 21.75 12.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.349 . . . . 0.0 111.123 -179.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.417 ' HB3' ' HB2' ' B' ' 98' ' ' ALA . 10.9 mm-40 -122.22 109.99 15.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.02 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -65.56 103.26 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 55.46 79.92 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.1 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.417 ' HB2' ' HB3' ' B' ' 95' ' ' GLU . . . -120.95 136.82 54.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.754 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.415 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 12.2 mm-40 -49.13 106.03 0.58 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.203 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . 0.532 ' HG3' ' HD3' ' B' ' 91' ' ' ARG . 2.2 Cg_endo -84.23 143.31 10.07 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.983 2.455 . . . . 0.0 112.21 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.16 -61.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.779 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.25 -163.25 1.02 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.36 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.7 p -174.66 158.16 2.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.049 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.51 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 46.6 t80 -147.84 145.5 28.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.812 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 45.6 t -165.18 131.85 2.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' CYS . . . . . 0.431 ' HB3' ' HB3' ' B' ' 13' ' ' CYS . 90.8 m -149.62 147.06 27.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.68 156.95 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.747 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . 0.659 HG12 ' HB2' ' B' ' 16' ' ' LEU . 97.0 mt -145.34 141.23 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.425 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -139.6 139.04 36.67 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.674 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 5.2 t -112.3 160.62 11.63 Favored 'Isoleucine or valine' 0 C--N 1.337 0.065 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.542 178.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.539 ' H ' ' HA ' ' B' ' 19' ' ' THR . 27.7 mmt180 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.659 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -172.48 152.41 16.65 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.567 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 80.2 p -143.06 125.05 15.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.855 0.359 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 47.1 t -87.37 133.71 33.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -107.1 128.23 54.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -86.29 121.65 29.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -67.79 149.66 49.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.008 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -116.74 -37.28 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.958 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -157.17 -60.8 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -85.95 126.25 33.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 47.6 t -97.52 148.06 23.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 53.0 m -88.13 175.83 7.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -142.3 65.18 0.49 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.453 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 52.8 tp -83.55 151.8 25.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.793 0.33 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 35.7 m -60.21 148.48 78.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -67.92 -71.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.681 2.254 . . . . 0.0 112.416 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -4' ' ' ARG . . . . . 0.445 ' HE ' ' HA ' ' B' ' -4' ' ' ARG . 3.7 mmp_? -114.87 14.43 17.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.134 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -84.29 43.24 3.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.661 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 79.9 p -151.31 6.7 0.49 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.787 0.327 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -115.28 113.7 24.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -113.7 171.28 7.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.796 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . 0.562 ' HB3' ' HB3' ' B' ' 22' ' ' GLN . 2.1 mp0 -97.71 155.25 17.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.774 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 0.0 OUTLIER -105.98 143.72 27.46 Favored Pre-proline 0 CA--C 1.517 -0.31 0 CA-C-O 120.926 0.393 . . . . 0.0 111.059 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.449 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 51.8 Cg_exo -57.1 -44.49 43.55 Favored 'Trans proline' 0 CA--C 1.509 -0.734 0 C-N-CA 122.726 2.284 . . . . 0.0 110.201 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 46.3 t -158.54 80.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 113.94 -1.482 . . . . 0.0 110.32 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 p -67.11 105.5 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.061 0.457 . . . . 0.0 110.652 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.0 m -59.3 162.44 4.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.465 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.522 HD23 ' N ' ' B' ' 8' ' ' ASP . 8.3 tt -142.92 137.66 29.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.556 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.522 ' N ' HD23 ' B' ' 7' ' ' LEU . 18.5 t70 -137.52 -12.53 1.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.464 ' HB2' ' HB2' ' B' ' 12' ' ' ASP . 10.0 m-20 -136.87 154.12 50.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.54 -42.94 86.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.63 -16.49 61.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.708 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.464 ' HB2' ' HB2' ' B' ' 9' ' ' ASP . 21.0 t70 -67.23 -7.09 21.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.3 173.9 7.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.451 ' HA ' ' HD2' ' B' ' 15' ' ' PRO . 74.3 m -102.04 102.57 24.65 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' B' ' 14' ' ' SER . 2.8 Cg_endo -44.96 87.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.76 2.307 . . . . 0.0 113.043 -178.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.705 ' HB3' ' HB3' ' B' ' 109' ' ' GLN . 2.3 mm? 63.39 -91.15 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.881 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 16' ' ' LEU . 41.6 mttp -26.52 101.24 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.359 -1.291 . . . . 0.0 112.19 -179.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.671 HD22 HG23 ' B' ' 108' ' ' ILE . 7.6 tp -132.13 -163.76 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.497 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.459 ' H ' ' HG ' ' B' ' 18' ' ' LEU . 19.6 m -158.68 150.9 21.49 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.942 0.401 . . . . 0.0 110.685 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.527 ' HG2' HG12 ' B' ' 78' ' ' VAL . 57.2 mt-30 -78.49 137.18 37.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.846 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.504 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 112.51 29.49 3.15 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.831 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.562 ' HB3' ' HB3' ' B' ' 1' ' ' GLN . 1.2 pt20 -145.07 149.47 35.12 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 120.975 0.417 . . . . 0.0 110.609 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.541 ' HG2' ' HD3' ' B' ' 77' ' ' ARG . 30.2 mt-10 -121.76 175.17 6.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.461 HD11 ' HB2' ' B' ' 7' ' ' LEU . 9.1 tt -154.6 151.18 28.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.145 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 54.8 t -135.05 104.73 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.835 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.495 HD23 ' HB3' ' B' ' 7' ' ' LEU . 89.4 mt -70.62 136.98 49.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 56.0 m -127.12 93.28 3.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.07 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 mp -119.21 151.32 50.73 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.961 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -79.13 140.11 15.49 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.595 2.197 . . . . 0.0 112.35 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.3 p -161.79 170.08 20.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.075 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -144.05 96.64 5.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.797 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.4 -5.12 7.73 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.615 2.21 . . . . 0.0 112.396 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -91.19 1.9 56.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.398 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.0 p -105.04 -65.04 1.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.36 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.59 -35.4 0.81 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.765 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -87.01 105.61 17.27 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.324 0.583 . . . . 0.0 110.946 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.437 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 14.8 mmm180 -106.01 -158.25 0.65 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.592 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.437 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 94.3 m95 -118.29 112.16 19.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -93.91 155.11 17.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.204 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.537 HD23 ' HG ' ' B' ' 88' ' ' LEU . 16.1 mt -104.1 116.35 32.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.242 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.539 ' HB2' ' HB3' ' B' ' 87' ' ' GLU . 4.2 mmp_? -93.16 -17.41 23.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.27 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.53 ' HB3' ' HB2' ' B' ' 87' ' ' GLU . 63.4 t30 -175.03 88.17 0.31 Allowed Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.722 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.47 ' HB3' HD13 ' B' ' 40' ' ' LEU . 76.2 Cg_endo -76.89 20.33 0.63 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.561 2.174 . . . . 0.0 112.545 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 58.13 27.69 15.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.86 -7.1 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.516 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.5 t -74.62 -28.76 61.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.036 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.449 HG23 ' N ' ' B' ' 48' ' ' LEU . 21.4 m -136.58 -45.74 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.466 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.75 HD11 HG21 ' B' ' 108' ' ' ILE . 18.3 mt -80.77 119.7 23.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.554 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.46 ' NZ ' ' HB3' ' B' ' 49' ' ' LYS . 5.5 ttpm? -84.72 138.07 32.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -91.75 143.26 26.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.775 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' B' ' 75' ' ' ARG . 64.1 mt -68.09 -174.59 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.819 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.23 -176.64 3.6 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.652 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -75.94 -166.01 0.34 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.602 2.201 . . . . 0.0 112.48 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 61.23 102.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.089 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 30.8 m -102.06 11.75 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -114.15 157.66 22.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 53.3 m -85.78 -178.84 6.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.758 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.569 HD22 ' N ' ' B' ' 58' ' ' ASN . 0.8 OUTLIER -84.5 -49.79 8.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.855 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 46.9 t -153.1 163.06 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -138.94 133.43 31.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -99.66 -67.11 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -156.56 126.05 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 79.8 p -152.25 151.4 30.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.6 50.31 2.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 86.1 mt -88.35 172.51 9.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.886 0.374 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -65.83 -27.26 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.971 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -145.39 -178.67 21.11 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.544 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 90.7 p -94.04 -45.58 7.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -147.96 -5.9 0.28 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.525 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.11 81.57 0.63 Allowed Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -151.39 157.97 43.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.859 0.362 . . . . 0.0 110.843 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . 0.403 ' HG ' ' HD1' ' B' ' 38' ' ' TRP . 52.3 m -94.36 141.85 28.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 63.4 m -140.46 113.72 8.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -113.84 116.08 28.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.501 ' HB3' HD12 ' B' ' 51' ' ' LEU . 0.1 OUTLIER -104.81 135.33 46.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.821 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -139.47 158.22 44.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.242 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.541 ' HD3' ' HG2' ' B' ' 23' ' ' GLU . 7.2 tpt180 -146.8 137.55 23.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.479 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.599 HG22 HD22 ' B' ' 48' ' ' LEU . 17.6 t -85.21 121.99 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.727 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.63 -44.79 4.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.767 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.75 179.92 5.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.022 0.439 . . . . 0.0 111.447 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.79 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 6.3 p -81.73 -167.86 1.68 Allowed 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.835 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.3 155.75 13.66 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.471 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -91.67 143.86 26.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.934 0.397 . . . . 0.0 111.106 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.449 ' OD2' ' HB ' ' B' ' 108' ' ' ILE . 2.5 p-10 -159.19 177.13 11.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.816 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -156.7 102.65 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.517 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.44 ' HB3' ' HB3' ' B' ' 106' ' ' CYS . 10.9 tp -53.23 146.05 12.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.531 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.539 ' HB3' ' HB2' ' B' ' 41' ' ' ARG . 4.4 mm-40 -143.87 116.98 8.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.924 0.393 . . . . 0.0 111.718 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.537 ' HG ' HD23 ' B' ' 40' ' ' LEU . 5.8 mp -131.15 146.53 52.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.14 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.513 HG21 ' HE ' ' B' ' 91' ' ' ARG . 14.9 m -138.8 163.75 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.742 0.306 . . . . 0.0 111.155 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' TYR . . . . . 0.492 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 44.9 t80 -110.93 96.82 6.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.211 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.513 ' HE ' HG21 ' B' ' 89' ' ' VAL . 27.3 ptt180 -166.98 167.16 14.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.709 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.526 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 89.7 mtt180 -60.04 119.72 44.23 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.512 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.34 -28.7 85.68 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.789 2.326 . . . . 0.0 113.55 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' TRP . . . . . 0.526 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 13.3 p90 -79.86 14.62 1.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.67 0.271 . . . . 0.0 111.581 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.501 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 41.9 mt-10 -112.76 123.27 49.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.778 0.323 . . . . 0.0 110.774 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' B' ' 96' ' ' LYS . 13.0 mptt -67.55 -51.35 51.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.794 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -141.66 105.25 4.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.491 ' H ' ' NH1' ' B' ' 91' ' ' ARG . . . -148.5 129.27 14.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.793 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.453 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 36.7 mt-10 -54.46 117.8 14.49 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.064 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . 0.492 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 9.4 Cg_endo -87.9 165.82 7.28 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 123.214 2.609 . . . . 0.0 112.263 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.87 -30.57 21.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.025 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.492 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 27.9 mt-10 -125.55 -172.3 2.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.091 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 79.8 p -173.14 162.17 4.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.726 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.493 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 59.1 t80 -156.31 150.21 25.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.399 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 86.7 p -159.93 123.23 3.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.323 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' CYS . . . . . 0.44 ' HB3' ' HB3' ' B' ' 86' ' ' LEU . 53.2 t -113.64 131.29 56.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.521 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.56 118.05 21.81 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.93 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . 0.75 HG21 HD11 ' B' ' 48' ' ' LEU . 20.0 mt -140.41 115.69 7.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . 0.705 ' HB3' ' HB3' ' B' ' 16' ' ' LEU . 53.2 tt0 -135.41 112.99 10.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.25 178.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.79 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 3.4 t -95.17 162.78 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.236 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.547 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 24.3 tpt180 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.352 -0.832 . . . . 0.0 110.748 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.781 0.324 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -100.6 -33.55 5.03 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 47.5 t -141.78 156.83 45.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.765 0.316 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 47.8 t -128.2 -19.82 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -155.47 125.73 6.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -73.94 -167.59 0.51 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 74.2 t60 63.59 108.11 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 31.7 m80 60.53 -176.97 0.11 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.048 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -72.07 -179.09 2.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.977 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -64.99 159.3 23.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 53.9 m -119.35 128.69 54.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.807 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.8 t -95.44 121.36 37.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.056 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -105.54 95.23 1.06 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.443 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 22.7 tp -114.34 14.03 17.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.644 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 96.0 t -55.47 113.74 6.1 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.053 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.61 168.94 6.05 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.403 2.069 . . . . 0.0 112.33 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -98.89 -13.82 19.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -154.45 -147.65 4.74 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.577 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 41.3 t -87.0 170.81 11.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -93.84 -22.16 18.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 26.1 mmt -67.9 -71.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 61.57 -83.59 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.216 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.509 ' CB ' ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -114.51 133.58 22.47 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.165 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.522 ' HG2' ' HG3' ' B' ' 22' ' ' GLN . 5.8 Cg_exo -76.05 -40.24 0.72 Allowed 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 122.943 2.429 . . . . 0.0 112.404 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 17.9 m -148.64 5.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.708 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.509 ' HB ' ' CB ' ' B' ' 2' ' ' LYS . 54.5 t -51.37 -37.5 18.73 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 121.429 0.633 . . . . 0.0 111.048 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.86 145.35 32.26 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.679 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.559 HD23 HD21 ' B' ' 26' ' ' LEU . 44.2 tp -167.26 152.94 7.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.094 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -162.26 14.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -139.47 159.53 41.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.831 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.55 -34.9 9.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.386 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.94 -27.21 68.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.134 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -83.19 10.79 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 77.6 m -96.23 134.91 38.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.02 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 4.1 p -164.51 161.02 15.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.699 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.8 75.48 0.31 Allowed 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.267 1.978 . . . . 0.0 111.602 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.5 HD12 ' H ' ' B' ' 17' ' ' LYS . 56.5 tp -90.32 149.65 22.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.638 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.5 ' H ' HD12 ' B' ' 16' ' ' LEU . 41.4 mttm -83.1 134.94 34.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.378 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.51 ' H ' ' HA ' ' B' ' 110' ' ' VAL . 0.4 OUTLIER -122.64 -165.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.493 -179.355 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.3 m -160.21 147.99 16.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.509 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.624 HE21 ' HA ' ' B' ' 80' ' ' ALA . 96.5 mt-30 -60.47 111.25 1.51 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.839 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 141.94 -7.59 2.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.546 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.522 ' HG3' ' HG2' ' B' ' 3' ' ' PRO . 14.0 mm100 -105.51 -170.57 1.76 Allowed 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.827 0.346 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.462 ' HB2' HG22 ' B' ' 5' ' ' VAL . 43.3 mt-10 -150.47 -167.3 2.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.508 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.524 HD23 ' N ' ' B' ' 25' ' ' VAL . 5.7 tt -163.53 128.74 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.927 179.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.524 ' N ' HD23 ' B' ' 24' ' ' LEU . 48.0 t -126.5 140.8 47.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.977 0.418 . . . . 0.0 111.4 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.559 HD21 HD23 ' B' ' 7' ' ' LEU . 47.9 mt -126.1 126.07 43.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.846 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.416 ' C ' HD22 ' B' ' 28' ' ' LEU . 63.8 m -129.02 97.68 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.328 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.462 HD22 ' N ' ' B' ' 28' ' ' LEU . 3.1 mm? -117.45 158.23 45.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.628 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.69 142.18 20.17 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.572 2.181 . . . . 0.0 112.233 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -152.83 -51.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.194 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 13.5 m120 61.07 98.4 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.39 -13.06 6.76 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.56 2.173 . . . . 0.0 112.596 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 79.2 p -69.48 -4.53 19.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.281 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 59.1 p -102.81 -69.17 0.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.298 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.88 -36.99 1.29 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.923 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -79.71 100.03 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.116 0.484 . . . . 0.0 110.971 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.436 HH22 ' HA ' ' B' ' 72' ' ' SER . 17.0 mmm180 -92.34 -155.1 0.41 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.864 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.412 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 92.8 m95 -129.62 117.17 19.96 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.94 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -98.22 152.72 19.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.981 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.447 HD23 ' HG ' ' B' ' 88' ' ' LEU . 94.2 mt -95.63 107.12 19.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.274 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -79.29 -18.87 51.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.358 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.58 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 10.3 t30 -173.28 90.38 0.37 Allowed Pre-proline 0 CA--C 1.53 0.205 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.648 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.412 ' HB3' HD13 ' B' ' 40' ' ' LEU . 73.8 Cg_endo -74.0 8.91 1.86 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.585 2.19 . . . . 0.0 112.522 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 52.94 30.87 9.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.64 -8.66 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.364 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 53.5 m -65.96 -30.14 70.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.48 HG23 ' HG ' ' B' ' 48' ' ' LEU . 34.7 m -131.66 -39.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.674 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.547 HD22 HG22 ' B' ' 78' ' ' VAL . 18.8 mt -90.01 123.22 33.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.836 0.35 . . . . 0.0 110.741 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.468 ' NZ ' ' HE ' ' B' ' 77' ' ' ARG . 5.0 ttpm? -75.63 151.93 37.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -101.33 145.92 28.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.034 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' B' ' 77' ' ' ARG . 8.0 mp -107.63 142.07 38.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.2 166.02 4.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.605 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.39 -57.89 1.41 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.781 2.321 . . . . 0.0 112.37 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -136.66 -64.56 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 16.3 m -132.3 164.49 34.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 58.13 -173.29 0.09 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.048 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -131.46 -69.22 0.63 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -141.6 -71.41 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.1 m -152.46 3.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 58.78 -175.01 0.09 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.276 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -126.12 -65.49 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.758 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -89.52 109.83 20.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.656 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.7 m -63.71 102.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.81 34.41 4.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.991 -0.624 . . . . 0.0 112.164 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 58.7 mt -61.46 121.46 12.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.376 . . . . 0.0 110.94 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.7 p -98.13 -22.43 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.6 2.83 87.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.547 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 40.5 m 59.41 16.94 5.52 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.814 0.34 . . . . 0.0 111.16 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.94 100.69 0.28 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.587 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.99 126.62 0.17 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.537 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -160.92 176.03 11.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . 0.436 ' HA ' HH22 ' B' ' 37' ' ' ARG . 47.7 t -93.45 122.46 35.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 71.0 m -125.88 128.15 47.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -126.5 136.41 52.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.755 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -143.34 124.95 14.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.048 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -137.28 144.24 42.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.919 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.509 ' HB2' HD11 ' B' ' 51' ' ' LEU . 4.1 tmm_? -117.33 129.84 56.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.323 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.547 HG22 HD22 ' B' ' 48' ' ' LEU . 11.0 t -68.82 110.75 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.245 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -116.47 -10.55 11.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.393 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.624 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -144.55 157.78 44.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.059 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.543 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 58.4 m -99.3 168.29 10.12 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 121.12 0.486 . . . . 0.0 110.697 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 136.48 170.96 12.11 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.662 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -93.46 112.47 24.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.958 0.409 . . . . 0.0 110.82 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.424 ' OD2' ' HB ' ' B' ' 108' ' ' ILE . 9.8 p-10 -127.85 -173.29 2.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.001 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -166.89 104.45 0.57 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.091 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.552 ' HG ' HD12 ' B' ' 108' ' ' ILE . 13.1 mt -59.75 141.36 55.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 110.676 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.58 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 25.4 mt-10 -140.07 128.91 23.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.984 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.447 ' HG ' HD23 ' B' ' 40' ' ' LEU . 5.0 mp -136.82 167.29 21.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.33 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.482 HG22 ' N ' ' B' ' 90' ' ' TYR . 7.4 p -150.78 158.38 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.133 0.492 . . . . 0.0 111.426 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' TYR . . . . . 0.543 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 26.9 t80 -103.14 101.02 10.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.925 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.411 ' HD3' ' HB3' ' B' ' 100' ' ' PRO . 38.8 ptt180 -165.53 174.92 9.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.513 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 99.1 mtt180 -78.76 133.3 62.53 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.714 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 16.7 Cg_exo -68.01 -47.22 1.88 Allowed 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.711 2.274 . . . . 0.0 113.11 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' TRP . . . . . 0.513 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 12.7 p90 -57.88 -25.78 61.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.553 -179.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -72.65 104.95 4.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.89 0.376 . . . . 0.0 110.744 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -71.32 100.69 2.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.736 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 57.1 88.66 0.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.822 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.44 156.66 48.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.55 110.99 3.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.006 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . 0.411 ' HB3' ' HD3' ' B' ' 91' ' ' ARG . 90.5 Cg_endo -84.62 -166.4 0.35 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.574 2.183 . . . . 0.0 112.425 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.56 -82.48 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.543 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 0.6 OUTLIER -69.46 -166.2 0.09 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.251 0.548 . . . . 0.0 111.252 179.821 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 79.4 p -175.5 155.0 1.73 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.703 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -151.17 102.88 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 79.3 p -119.44 146.35 45.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.105 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 96.4 m -146.89 136.65 23.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.57 146.57 25.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . 0.552 HD12 ' HG ' ' B' ' 86' ' ' LEU . 88.7 mt -148.48 137.58 15.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.544 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -142.18 157.07 45.28 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.235 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.543 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 0.3 OUTLIER -136.6 -153.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.309 179.756 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.427 ' H ' HG12 ' B' ' 110' ' ' VAL . 31.4 mmt180 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.119 -0.943 . . . . 0.0 111.091 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 59.1 ttp . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.828 0.347 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -172.11 -38.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.488 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 54.5 m -129.06 151.59 49.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.761 0.315 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 48.2 t -138.12 115.45 11.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -90.74 -179.58 5.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . 0.441 ' HB2' ' HB2' ' B' ' -12' ' ' HIS . 69.7 m-70 -123.76 -170.08 2.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 65.6 m80 -94.29 93.08 7.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.147 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 64.9 m80 60.94 12.07 3.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.507 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . 0.441 ' HB2' ' HB2' ' B' ' -15' ' ' HIS . 94.1 m-70 -98.17 135.02 40.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.778 0.323 . . . . 0.0 110.816 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -143.54 146.27 33.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.1 p -102.18 -51.13 3.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.5 t -133.12 140.96 47.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 142.47 48.93 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.438 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 69.7 mt -86.46 -8.55 57.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.85 0.357 . . . . 0.0 110.92 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 32.9 m -87.15 151.09 51.0 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -61.33 172.69 3.12 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.573 2.182 . . . . 0.0 112.212 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -65.5 -58.55 5.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -117.45 157.09 15.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.454 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 47.7 t -100.37 103.73 15.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -141.14 177.3 8.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.803 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 69.6 mtm -65.62 -27.04 68.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.803 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -74.98 145.81 42.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.483 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -128.65 151.56 77.2 Favored Pre-proline 0 CA--C 1.514 -0.44 0 CA-C-O 121.403 0.621 . . . . 0.0 111.887 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.12 -29.31 65.22 Favored 'Trans proline' 0 CA--C 1.507 -0.864 0 C-N-CA 123.109 2.539 . . . . 0.0 110.291 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.66 HG22 ' HB2' ' B' ' 23' ' ' GLU . 3.6 t -154.6 80.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 114.29 -1.323 . . . . 0.0 110.932 179.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' B' ' 24' ' ' LEU . 12.5 m -64.68 165.1 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.164 179.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -126.51 161.79 27.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.004 0.43 . . . . 0.0 111.607 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 57.8 tp -137.21 148.95 46.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.641 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -171.68 19.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . 0.483 ' O ' ' HB3' ' B' ' 10' ' ' ALA . 11.1 m-20 -102.27 -50.07 3.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' B' ' 9' ' ' ASP . . . 75.43 -46.98 0.59 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.481 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -77.5 -27.05 51.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 110.685 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -80.37 1.45 28.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.656 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 67.3 m -63.98 129.84 41.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.519 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.548 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 16.5 m -159.95 163.35 22.68 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.951 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.548 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 20.3 Cg_endo -61.4 79.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.046 1.831 . . . . 0.0 111.699 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' B' ' 14' ' ' SER . 40.1 tp -80.51 142.93 33.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.652 -179.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -92.65 115.76 28.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.54 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.443 ' H ' ' HA ' ' B' ' 110' ' ' VAL . 10.9 mp -108.98 -168.72 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.048 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.7 m -158.81 145.38 17.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.295 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.46 ' NE2' ' HA ' ' B' ' 80' ' ' ALA . 75.8 mt-30 -52.52 104.2 0.08 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.702 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.507 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 146.29 13.06 0.19 Allowed Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.879 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -129.79 144.19 51.18 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.66 ' HB2' HG22 ' B' ' 4' ' ' VAL . 45.2 mt-10 -122.43 -176.59 3.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.943 0.401 . . . . 0.0 111.556 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' B' ' 75' ' ' ARG . 1.4 mt -152.96 146.2 24.76 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.004 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 97.2 t -145.04 92.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.325 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.9 tp -98.09 127.96 44.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.246 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -120.1 140.83 50.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 95.9 mt -142.16 129.33 11.3 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.782 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.72 144.61 94.22 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.493 2.128 . . . . 0.0 112.282 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.407 ' HB3' ' HE1' ' B' ' 38' ' ' TRP . 76.6 p -139.17 175.23 9.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.767 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -132.02 86.0 48.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.814 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -62.27 -7.16 9.62 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.542 2.161 . . . . 0.0 112.42 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 76.3 p -87.12 8.26 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.387 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 69.8 p -115.83 -66.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.388 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.88 -20.27 1.79 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.893 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -88.18 97.3 10.92 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.099 0.476 . . . . 0.0 111.027 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.547 ' HB2' ' HD3' ' B' ' 93' ' ' PRO . 0.6 OUTLIER -88.38 -152.93 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.479 179.477 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.407 ' HE1' ' HB3' ' B' ' 30' ' ' SER . 96.3 m95 -121.0 120.82 36.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -109.15 126.5 53.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.545 ' HG ' ' HG ' ' B' ' 88' ' ' LEU . 1.2 tt -95.48 109.34 21.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.549 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -75.53 -68.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.56 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 51.7 t-20 -102.34 99.3 12.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.619 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -79.0 -3.92 13.54 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.505 2.137 . . . . 0.0 112.665 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.434 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 55.68 27.6 10.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.8 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.71 -5.91 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.348 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -68.28 -35.97 78.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 28.3 m -132.83 3.94 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.625 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' B' ' 44' ' ' ALA . 92.4 mt -126.64 124.97 41.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.97 0.414 . . . . 0.0 111.353 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.499 ' O ' HD12 ' B' ' 51' ' ' LEU . 16.7 mmtt -111.68 -163.4 0.85 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.569 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.553 ' HB2' ' HB3' ' B' ' 77' ' ' ARG . 29.0 tpt180 69.22 14.47 8.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.047 0.451 . . . . 0.0 111.532 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.499 HD12 ' O ' ' B' ' 49' ' ' LYS . 8.4 mp -73.97 103.81 4.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.671 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.48 179.37 53.15 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.685 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -79.32 -169.12 0.73 Allowed 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.838 2.359 . . . . 0.0 112.449 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -77.5 135.46 38.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.813 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.406 ' O ' HG22 ' B' ' 55' ' ' VAL . 9.9 p -84.36 7.8 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.054 0.454 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -131.11 20.26 4.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.69 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 52.1 m -56.65 162.51 2.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.994 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.9 -54.21 47.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 54.1 m -81.73 121.11 25.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.945 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -154.56 137.97 15.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -81.93 -70.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -113.15 116.76 30.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.0 m -110.02 107.35 17.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.17 17.02 48.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.335 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 67.0 mt -67.9 135.23 52.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.722 0.296 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 83.6 t -142.26 -78.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.212 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.47 -104.0 0.22 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.497 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 38.6 m -142.67 0.64 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.887 0.375 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 138.98 54.49 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.507 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.66 127.81 4.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.406 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -144.0 145.03 31.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 111.118 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 42.7 t -111.74 170.22 8.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 58.7 m -154.95 138.18 15.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.947 0.403 . . . . 0.0 111.412 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 7.1 m-90 -138.37 112.38 8.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.406 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.471 ' HA ' ' O ' ' B' ' 24' ' ' LEU . 29.7 ptt180 -119.33 139.25 52.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.665 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.493 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -148.26 178.46 8.55 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.691 179.634 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.581 ' HB2' ' HG2' ' B' ' 23' ' ' GLU . 9.3 tpt180 -152.33 141.27 21.14 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.321 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 93.9 t -71.55 95.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.876 0.37 . . . . 0.0 110.737 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.456 ' HB2' ' HB2' ' B' ' 49' ' ' LYS . . . -69.07 -50.06 51.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.239 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.46 ' HA ' ' NE2' ' B' ' 20' ' ' GLN . . . -144.52 -176.94 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.964 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.729 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 58.6 m -73.76 -165.06 0.25 Allowed 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.773 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.22 163.6 26.55 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.483 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -100.43 162.15 13.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.634 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -168.85 -179.84 3.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.524 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -160.18 104.89 1.5 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.469 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.402 HD12 ' O ' ' B' ' 42' ' ' ASN . 10.2 tp -67.87 125.08 25.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.637 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.56 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 17.2 mt-10 -122.21 116.5 24.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.117 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.545 ' HG ' ' HG ' ' B' ' 40' ' ' LEU . 5.3 mp -121.29 156.21 33.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.66 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 32.8 m -142.7 161.76 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -111.24 102.43 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.77 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.474 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 23.7 ptt180 -159.38 177.08 11.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.791 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.496 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 54.0 mtt180 -63.05 145.08 97.04 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.41 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' PRO . . . . . 0.547 ' HD3' ' HB2' ' B' ' 37' ' ' ARG . 78.7 Cg_endo -82.46 -2.75 11.19 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.782 2.321 . . . . 0.0 113.621 -178.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' TRP . . . . . 0.496 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 18.8 p90 -115.98 18.59 15.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.754 0.312 . . . . 0.0 111.43 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -114.72 122.67 47.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -91.11 106.99 18.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.675 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . 0.407 ' H ' HH12 ' B' ' 91' ' ' ARG . 21.1 t70 57.48 81.12 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.041 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.1 177.45 7.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.473 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 40.9 mt-10 -77.06 113.05 27.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.059 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . 0.474 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 11.3 Cg_endo -91.13 158.99 3.85 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 123.413 2.742 . . . . 0.0 112.455 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.36 -71.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.797 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -87.9 -163.37 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.053 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.5 p -174.59 158.79 2.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.43 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 56.9 t80 -154.15 148.81 26.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.826 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 78.1 p -159.95 140.42 11.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.765 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 t -149.88 135.78 18.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 111.404 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.16 138.56 31.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.063 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 98.3 mt -140.99 145.46 25.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.938 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -149.11 161.36 42.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.584 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.729 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 15.8 t -136.44 155.52 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.93 0.395 . . . . 0.0 111.092 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.418 ' N ' HG12 ' B' ' 110' ' ' VAL . 28.8 mmt180 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.144 -0.931 . . . . 0.0 110.995 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.73 0.3 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 106.23 -65.09 0.27 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.527 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 53.1 m -99.66 136.36 39.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.764 0.316 . . . . 0.0 110.95 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 53.2 m -97.19 162.66 13.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -132.83 -3.68 3.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.008 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -125.56 -18.03 5.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -83.75 113.53 20.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -73.45 153.37 40.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -63.68 -44.07 94.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -144.57 109.92 5.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 79.7 p -164.44 -22.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 49.6 m -89.85 171.54 9.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 137.76 51.6 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.444 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 85.1 mt 58.49 -173.61 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.894 0.378 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . 0.475 ' HA ' ' HD3' ' B' ' -5' ' ' PRO . 7.6 p -143.79 129.6 9.97 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' -5' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' B' ' -6' ' ' VAL . 5.7 Cg_exo -73.93 159.05 45.52 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.691 2.261 . . . . 0.0 112.126 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -99.19 -78.81 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.7 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 52.94 -150.11 10.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.732 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 78.9 p -162.94 108.75 1.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.768 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -126.43 -179.27 4.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 26.0 mmt -82.64 -14.07 55.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -103.76 151.47 23.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.83 ' O ' HG23 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -144.83 157.86 53.97 Favored Pre-proline 0 CA--C 1.512 -0.493 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.94 179.888 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.439 ' HD2' ' CD ' ' B' ' 2' ' ' LYS . 54.3 Cg_exo -56.13 -8.05 2.2 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 C-N-CA 122.355 2.036 . . . . 0.0 109.531 176.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.83 HG23 ' O ' ' B' ' 2' ' ' LYS . 36.6 t 35.05 87.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 113.791 -1.549 . . . . 0.0 111.513 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 m -57.04 159.38 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.166 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.42 -175.95 3.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.513 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 67.1 tp -168.98 149.53 4.34 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.618 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -162.85 -27.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.177 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -79.61 109.81 14.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.959 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.54 ' C ' ' H ' ' B' ' 12' ' ' ASP . . . -72.48 157.11 38.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 t70 63.39 -13.8 0.08 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.132 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.54 ' H ' ' C ' ' B' ' 10' ' ' ALA . 23.5 t70 -83.36 7.6 16.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.148 0.499 . . . . 0.0 109.869 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 12.9 m -88.19 170.9 10.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.789 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.501 ' O ' ' N ' ' B' ' 16' ' ' LEU . 27.9 m -164.43 165.15 13.15 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.259 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.466 ' HB3' ' NE2' ' B' ' 109' ' ' GLN . 53.1 Cg_exo -52.89 81.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.056 1.837 . . . . 0.0 111.792 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' B' ' 14' ' ' SER . 5.9 mt -51.74 163.01 0.35 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.507 0.67 . . . . 0.0 112.622 -179.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -133.98 77.6 1.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.214 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.404 HD13 ' HB3' ' B' ' 16' ' ' LEU . 10.9 mp -92.84 -169.13 2.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.181 -179.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.1 m -157.59 156.04 31.21 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.088 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.625 HE21 ' HA ' ' B' ' 80' ' ' ALA . 93.5 mt-30 -49.63 100.71 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.01 24.23 0.99 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.287 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.639 ' HA ' ' HD2' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -115.19 105.05 12.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.708 0.29 . . . . 0.0 111.021 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.821 ' HB2' HG22 ' B' ' 4' ' ' VAL . 27.2 mt-10 -80.09 159.77 26.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.058 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.505 HD23 ' N ' ' B' ' 25' ' ' VAL . 3.6 tt -159.44 132.33 6.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.505 ' N ' HD23 ' B' ' 24' ' ' LEU . 88.7 t -128.31 116.4 41.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.749 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.544 ' HB2' ' HB2' ' B' ' 74' ' ' TRP . 44.4 mt -93.11 155.67 17.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.0 0.429 . . . . 0.0 111.357 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 67.7 m -157.07 103.3 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.447 HD22 ' N ' ' B' ' 28' ' ' LEU . 3.6 mm? -104.03 148.38 35.79 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.744 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -79.78 119.69 4.08 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.497 2.132 . . . . 0.0 112.335 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 87.9 p -124.49 -174.78 3.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -135.59 92.82 16.76 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . 0.409 ' HB3' HH12 ' B' ' 37' ' ' ARG . 32.8 Cg_exo -60.03 -13.96 25.86 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.51 2.14 . . . . 0.0 112.44 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 53.6 m -76.45 -30.33 57.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.2 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 40.7 p -87.48 -74.16 0.45 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.559 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.51 -17.94 1.14 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.712 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -82.74 98.99 9.38 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.47 0.652 . . . . 0.0 110.921 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.409 HH12 ' HB3' ' B' ' 32' ' ' PRO . 0.8 OUTLIER -95.58 -158.63 0.66 Allowed 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.26 179.155 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -120.78 117.4 27.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.41 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -100.64 146.44 27.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.607 ' HG ' ' HG ' ' B' ' 88' ' ' LEU . 0.8 OUTLIER -108.13 103.53 12.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.599 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.473 ' NE ' ' HA ' ' B' ' 41' ' ' ARG . 4.0 mmp_? -71.57 -66.86 0.57 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.156 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -109.11 94.18 14.54 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.661 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.456 ' HB2' HD21 ' B' ' 51' ' ' LEU . 88.1 Cg_endo -81.63 9.71 3.79 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.593 2.195 . . . . 0.0 112.921 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.561 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 55.37 32.92 19.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.588 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.12 -15.02 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.784 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 48.1 t -68.88 -14.96 63.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.039 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.426 HG23 ' HG ' ' B' ' 48' ' ' LEU . 32.8 m -142.99 -10.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.101 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' B' ' 44' ' ' ALA . 80.0 mt -115.59 120.85 40.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.064 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.426 ' C ' HD12 ' B' ' 51' ' ' LEU . 0.0 OUTLIER -113.78 -166.86 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.577 179.839 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.575 ' HB3' ' H ' ' B' ' 77' ' ' ARG . 54.9 ttt180 69.71 24.91 5.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.903 0.383 . . . . 0.0 111.335 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' B' ' 43' ' ' PRO . 7.3 mp -85.29 118.38 24.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.451 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -137.83 169.2 24.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.795 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . 0.413 ' HB2' ' H ' ' B' ' 54' ' ' GLU . 66.1 Cg_endo -87.08 -146.17 0.03 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 123.103 2.535 . . . . 0.0 112.351 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.413 ' H ' ' HB2' ' B' ' 53' ' ' PRO . 42.8 mt-10 66.03 111.83 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.024 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.437 HG12 ' HB ' ' B' ' 73' ' ' THR . 16.4 m -114.87 155.9 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.072 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 64.32 151.0 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.267 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 57.0 m -155.67 112.28 3.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -95.84 160.29 14.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.2 m -149.14 -61.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -129.8 16.61 5.79 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -89.11 -178.65 5.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.841 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -111.82 -17.27 12.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 55.1 m -130.03 -177.72 4.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.07 69.08 2.17 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.566 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.531 HD22 ' HA2' ' B' ' 69' ' ' GLY . 75.0 mt -109.54 130.96 55.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.1 p -97.81 -20.01 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -153.11 -77.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 41.5 m -133.99 6.85 3.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . 0.531 ' HA2' HD22 ' B' ' 65' ' ' LEU . . . 153.91 -153.68 24.99 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.484 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.29 105.65 0.93 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.374 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -140.16 148.15 41.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.893 0.378 . . . . 0.0 111.095 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 80.5 p -76.2 -175.72 3.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.77 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.437 ' HB ' HG12 ' B' ' 55' ' ' VAL . 56.5 m -153.42 123.74 7.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.16 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.544 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 76.7 m95 -134.0 132.65 40.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.635 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -136.21 134.54 38.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.173 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.49 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 1.4 p90 -168.04 149.83 5.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.575 ' H ' ' HB3' ' B' ' 50' ' ' ARG . 1.5 tmm_? -129.36 143.27 50.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.725 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.479 ' N ' ' HD2' ' B' ' 77' ' ' ARG . 42.9 t -62.78 116.91 3.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.543 -179.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.12 -36.16 12.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.409 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.625 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -152.39 172.56 16.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.093 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.745 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 25.8 p -75.66 -170.67 1.34 Allowed 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.136 0.493 . . . . 0.0 111.023 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.02 152.75 8.47 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.555 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -100.88 111.86 24.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.854 0.359 . . . . 0.0 111.026 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -137.6 -170.97 2.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.654 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -150.91 149.76 30.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.782 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 9.2 tp -96.82 144.81 26.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.355 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -141.8 109.81 5.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.859 0.362 . . . . 0.0 111.762 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.607 ' HG ' ' HG ' ' B' ' 40' ' ' LEU . 6.8 mp -121.08 157.03 30.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.336 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.603 HG21 ' HE ' ' B' ' 91' ' ' ARG . 15.4 m -143.23 171.77 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.732 0.301 . . . . 0.0 111.225 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' TYR . . . . . 0.468 ' CB ' ' HB2' ' B' ' 102' ' ' GLU . 44.1 t80 -116.37 97.4 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.393 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.603 ' HE ' HG21 ' B' ' 89' ' ' VAL . 18.9 ptt180 -167.53 167.85 13.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.554 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 40.7 mtt180 -60.74 122.96 72.26 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.651 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 35.8 Cg_exo -62.0 -27.89 79.97 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.711 2.274 . . . . 0.0 113.325 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' TRP . . . . . 0.48 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 18.1 p90 -81.15 19.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.674 0.273 . . . . 0.0 111.691 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.554 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 46.7 mt-10 -112.23 125.08 53.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.831 0.348 . . . . 0.0 110.845 179.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -62.53 -51.43 67.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.954 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . 0.432 ' HA ' HH12 ' B' ' 91' ' ' ARG . 16.7 t70 -151.83 110.66 3.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.495 ' H ' ' NH1' ' B' ' 91' ' ' ARG . . . -138.23 -176.82 4.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.769 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -103.9 99.03 14.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.96 132.58 23.31 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.515 2.143 . . . . 0.0 112.247 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.41 -48.65 80.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.35 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.468 ' HB2' ' CB ' ' B' ' 90' ' ' TYR . 25.0 mt-10 -103.87 -170.7 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.1 p -167.88 161.03 12.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.63 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.561 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 66.6 t80 -155.41 155.13 33.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.472 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 28.7 t -167.61 140.72 3.36 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.499 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 20.0 t -144.54 113.53 6.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.676 0.274 . . . . 0.0 111.412 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.7 134.2 55.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.601 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 27.1 mt -138.17 116.35 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.703 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . 0.466 ' NE2' ' HB3' ' B' ' 15' ' ' PRO . 77.5 mt-30 -123.68 137.71 54.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.744 178.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.745 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 18.7 t -128.37 156.22 40.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.195 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.574 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 34.0 mmt180 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.025 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.73 0.3 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 85.17 177.03 50.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.49 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 80.2 p -83.39 144.33 29.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.833 0.349 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 53.4 m -144.63 8.25 1.31 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -65.63 -21.66 66.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -85.09 138.36 32.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -73.07 120.93 19.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -149.67 -33.97 0.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -136.41 -30.68 0.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -61.57 117.25 5.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 50.4 m -86.13 116.41 24.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.3 t -99.04 -28.8 13.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -155.68 -17.98 0.04 OUTLIER Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.589 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 60.3 tp -92.8 112.6 24.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.766 0.317 . . . . 0.0 110.963 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 18.4 m -134.31 151.31 76.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.054 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.81 172.45 1.14 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.578 2.185 . . . . 0.0 112.324 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -69.27 176.12 3.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.956 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -127.63 142.28 13.37 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 61.7 m -96.65 -165.01 1.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.77 0.319 . . . . 0.0 110.812 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -56.16 141.15 41.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 49.4 ttm -140.64 142.58 34.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.088 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . 0.6 ' HB3' ' HB3' ' B' ' 22' ' ' GLN . 12.8 mm100 -82.31 -165.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.484 ' HE3' ' H ' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -102.55 153.58 38.05 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-O 120.9 0.381 . . . . 0.0 111.815 -179.754 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.467 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 72.2 Cg_endo -70.7 -11.14 29.16 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.671 2.247 . . . . 0.0 111.362 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.649 ' HB ' ' HB2' ' B' ' 23' ' ' GLU . 1.7 p 163.67 99.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.797 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.424 ' O ' HD12 ' B' ' 24' ' ' LEU . 2.5 p -83.72 103.49 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.048 0.451 . . . . 0.0 110.228 179.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.12 164.33 24.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.777 -178.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 62.9 tp -142.38 146.6 35.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.595 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -136.83 -42.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -88.05 159.12 18.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.77 -3.88 9.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -79.57 -18.39 51.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -93.83 -4.42 50.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 73.0 m -59.85 135.19 57.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.136 0.493 . . . . 0.0 111.175 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.444 ' HB2' ' HD2' ' B' ' 15' ' ' PRO . 6.7 p -173.43 163.06 3.33 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.07 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' B' ' 14' ' ' SER . 18.9 Cg_endo -61.28 77.51 0.08 OUTLIER 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.21 1.94 . . . . 0.0 111.463 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' B' ' 14' ' ' SER . 63.7 tp -83.49 137.63 33.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.381 -179.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.482 ' HA ' ' O ' ' B' ' 109' ' ' GLN . 6.1 mtpm? -82.23 104.27 12.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.897 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.549 ' HG ' HE22 ' B' ' 22' ' ' GLN . 10.6 mp -94.58 -169.24 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.903 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.2 m -154.76 149.93 27.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.036 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.426 HE21 ' HA ' ' B' ' 80' ' ' ALA . 71.9 mt-30 -70.58 104.29 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.905 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 152.25 23.34 0.05 OUTLIER Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.314 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.6 ' HB3' ' HB3' ' B' ' 1' ' ' GLN . 9.4 pt20 -143.18 165.62 26.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.717 0.259 . . . . 0.0 110.611 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.649 ' HB2' ' HB ' ' B' ' 4' ' ' VAL . 35.2 mt-10 -117.42 -173.31 2.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.379 0.609 . . . . 0.0 111.835 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.453 ' CA ' HG23 ' B' ' 4' ' ' VAL . 9.4 tp -163.01 114.34 1.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.049 179.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.456 HG13 ' HG2' ' B' ' 75' ' ' ARG . 58.8 t -127.07 92.15 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.982 0.42 . . . . 0.0 110.885 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.71 157.33 24.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.207 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 66.6 m -155.59 111.8 3.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -134.75 155.03 79.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.38 142.16 11.72 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.597 2.198 . . . . 0.0 112.435 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 73.4 p -146.31 -179.77 6.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.688 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -126.61 83.98 63.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.63 -16.79 56.79 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.628 2.218 . . . . 0.0 112.217 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 67.6 p -89.16 -17.94 28.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 90.1 m -83.37 -68.26 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.06 -36.6 0.56 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.538 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -78.03 102.55 7.48 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.06 0.457 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.423 ' HB3' ' H ' ' B' ' 38' ' ' TRP . 14.9 mmm180 -103.2 -159.54 0.73 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.129 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.423 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 97.0 m95 -118.54 126.35 51.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.831 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -111.04 134.13 52.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' B' ' 43' ' ' PRO . 51.4 tp -79.56 130.25 35.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.736 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.635 ' HA ' ' HE ' ' B' ' 41' ' ' ARG . 0.0 OUTLIER -110.01 -50.85 2.93 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.274 -179.526 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.59 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 63.0 t30 -143.87 93.2 6.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.024 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.619 ' HB3' HD21 ' B' ' 40' ' ' LEU . 75.4 Cg_endo -76.83 13.07 1.53 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.554 2.17 . . . . 0.0 112.589 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.444 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 54.24 30.67 12.74 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.04 -9.52 2.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.461 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 57.6 m -62.44 -32.28 73.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.411 HG23 ' HG ' ' B' ' 48' ' ' LEU . 35.9 m -130.98 -36.45 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.635 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.569 HD22 HG22 ' B' ' 78' ' ' VAL . 14.2 mt -88.57 124.41 34.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.789 0.328 . . . . 0.0 110.856 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -85.84 144.17 27.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -90.89 143.25 26.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.635 HD12 ' HB3' ' B' ' 75' ' ' ARG . 71.8 mt -73.9 -63.91 1.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.791 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -153.38 -166.16 14.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.412 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.07 -177.25 0.76 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.642 2.228 . . . . 0.0 112.289 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -72.3 173.68 8.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.408 HG22 ' O ' ' B' ' 55' ' ' VAL . 9.9 p -96.61 8.28 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -116.57 104.92 11.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.787 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 56.2 m -143.59 -176.58 5.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -79.81 -10.31 59.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.011 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 80.3 p -133.33 134.84 44.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -123.55 105.11 9.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -63.14 -68.28 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.712 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -101.13 117.33 34.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.655 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 54.2 m -64.26 -81.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.067 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.36 -63.99 3.85 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.301 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 94.3 mt 56.26 106.38 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.052 0.453 . . . . 0.0 111.477 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.65 -26.81 4.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.068 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -140.38 -119.22 1.59 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 91.3 p -86.86 -32.6 20.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.685 0.279 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 141.23 149.91 5.31 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.96 -99.85 0.8 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.586 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 60.62 179.36 0.1 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.85 0.357 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 78.8 p -108.11 134.5 50.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.963 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 63.0 m -145.46 103.83 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.869 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -105.85 114.2 28.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.788 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.635 ' HB3' HD12 ' B' ' 51' ' ' LEU . 72.6 mtm180 -97.81 141.14 31.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.083 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -146.29 166.94 24.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.507 ' HB2' HD21 ' B' ' 51' ' ' LEU . 4.1 tmt_? -151.78 136.39 17.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.392 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.569 HG22 HD22 ' B' ' 48' ' ' LEU . 26.6 t -86.42 121.46 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.085 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.484 ' HB2' HH11 ' B' ' 77' ' ' ARG . . . -132.7 -19.18 2.37 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.529 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.426 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -129.64 152.06 49.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.931 0.396 . . . . 0.0 111.262 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.617 ' HB2' ' HB2' ' B' ' 111' ' ' ARG . 11.8 p -88.45 -179.55 6.1 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 115.76 179.48 18.27 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.513 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -100.74 154.36 18.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.938 0.399 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -168.59 -176.08 2.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.649 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -163.2 111.32 1.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.525 ' HG ' HD12 ' B' ' 108' ' ' ILE . 17.5 mt -64.56 143.41 57.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.754 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.59 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 18.8 mt-10 -139.42 109.25 6.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.272 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.406 ' N ' HD12 ' B' ' 88' ' ' LEU . 6.4 mp -118.72 118.5 31.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.3 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.446 HG22 ' N ' ' B' ' 90' ' ' TYR . 7.8 p -99.83 160.8 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.112 0.482 . . . . 0.0 111.315 -179.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' TYR . . . . . 0.446 ' N ' HG22 ' B' ' 89' ' ' VAL . 61.8 t80 -115.09 97.96 6.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.941 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.543 HH21 ' HG3' ' B' ' 100' ' ' PRO . 16.4 ptp180 -151.04 179.54 8.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.823 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.461 ' HA ' ' HD3' ' B' ' 93' ' ' PRO . 99.1 mtt180 -83.72 137.9 41.02 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.577 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 19.4 Cg_exo -66.62 -43.18 7.95 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.79 2.327 . . . . 0.0 113.329 -179.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' TRP . . . . . 0.455 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 4.2 p90 -68.59 -17.13 64.07 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.429 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 35.9 mt-10 -78.46 -21.61 48.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.491 0.186 . . . . 0.0 111.236 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt 62.82 -79.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.283 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -124.09 101.56 7.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.825 0.345 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.77 -178.95 6.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.986 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -78.3 113.32 32.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.059 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . 0.543 ' HG3' HH21 ' B' ' 91' ' ' ARG . 84.9 Cg_endo -79.97 165.8 21.58 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.59 2.193 . . . . 0.0 112.605 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.19 -53.53 4.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.007 0.432 . . . . 0.0 110.946 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -104.0 -163.01 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.616 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.1 p -175.04 155.64 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.831 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -152.1 140.36 20.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 80.2 p -159.21 121.35 3.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.561 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.66 140.0 53.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.029 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.404 ' HB3' ' C ' ' B' ' 14' ' ' SER . . . -82.56 141.0 32.95 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . 0.525 HD12 ' HG ' ' B' ' 86' ' ' LEU . 90.6 mt -147.97 131.75 8.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . 0.482 ' O ' ' HA ' ' B' ' 17' ' ' LYS . 8.4 tt0 -149.64 108.46 3.86 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.799 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.606 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 55.2 t -59.96 -91.4 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.112 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.617 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 39.7 mmt180 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.911 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.768 0.318 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -169.4 142.01 7.05 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.549 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 80.1 p -88.2 -44.21 11.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.655 0.264 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 45.7 t 61.7 -83.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.215 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -73.58 141.31 46.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -108.63 111.08 22.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -101.03 0.76 38.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -87.16 113.36 22.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.775 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -91.95 135.55 33.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.022 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -146.55 130.95 17.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.752 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 47.7 t -84.23 121.26 27.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 46.9 t -142.41 118.71 10.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -114.97 -147.72 9.34 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.562 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -7' ' ' LEU . . . . . 0.48 ' N ' HD12 ' B' ' -7' ' ' LEU . 6.8 mp -81.58 154.27 26.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.783 0.325 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . 0.474 ' HA ' ' HD3' ' B' ' -5' ' ' PRO . 35.7 m -131.45 138.27 32.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.161 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' -5' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' B' ' -6' ' ' VAL . 7.3 Cg_exo -73.01 -169.09 0.46 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.659 2.239 . . . . 0.0 112.042 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -85.3 -42.4 14.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 57.32 -162.1 8.26 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.592 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 53.2 m -148.93 109.27 4.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.714 0.293 . . . . 0.0 110.788 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -113.38 111.06 21.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.974 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 65.5 mtt -132.13 -64.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.753 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . 0.464 ' HG3' ' H ' ' B' ' 2' ' ' LYS . 27.2 tp60 -120.37 -140.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.336 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.558 ' N ' ' HD2' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -113.59 138.09 22.45 Favored Pre-proline 0 CA--C 1.516 -0.344 0 CA-C-O 120.964 0.411 . . . . 0.0 111.787 -179.538 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 64.8 Cg_exo -55.17 -19.61 21.55 Favored 'Trans proline' 0 CA--C 1.509 -0.746 0 C-N-CA 122.622 2.215 . . . . 0.0 110.005 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.57 HG22 ' HB2' ' B' ' 23' ' ' GLU . 4.4 t -156.64 72.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 113.895 -1.502 . . . . 0.0 109.966 178.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.52 HG22 ' HB2' ' B' ' 2' ' ' LYS . 58.9 t -49.64 153.31 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.135 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.44 HG22 ' N ' ' B' ' 7' ' ' LEU . 3.5 m -124.28 163.83 20.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.898 0.38 . . . . 0.0 111.236 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.459 HD23 ' N ' ' B' ' 8' ' ' ASP . 0.5 OUTLIER -133.81 128.63 35.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.522 179.843 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.459 ' N ' HD23 ' B' ' 7' ' ' LEU . 19.2 t70 -139.4 -8.64 1.29 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -129.39 114.17 15.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.559 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.12 -0.57 7.98 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.829 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -106.81 -6.43 17.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.797 0.332 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -80.01 12.18 2.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.592 ' HB3' ' HA ' ' B' ' 106' ' ' CYS . 38.3 m -59.6 143.81 49.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.444 ' HA ' ' HD3' ' B' ' 15' ' ' PRO . 32.2 t -177.77 138.14 0.39 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.698 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 14' ' ' SER . 24.3 Cg_exo -63.66 80.78 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.282 1.988 . . . . 0.0 111.583 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 44.3 tp -89.97 161.13 16.03 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.638 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -112.58 131.52 55.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.702 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.634 ' H ' ' HA ' ' B' ' 110' ' ' VAL . 11.0 mp -114.68 -167.61 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.764 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.9 m -154.56 144.73 21.94 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.682 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -56.65 100.41 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.809 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 150.76 -8.68 0.72 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.544 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.45 ' HB3' ' O ' ' B' ' 2' ' ' LYS . 18.7 mt-30 -104.02 -179.38 3.93 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.57 ' HB2' HG22 ' B' ' 4' ' ' VAL . 32.5 mt-10 -146.98 -171.67 3.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.483 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.518 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 3.2 tt -167.41 134.22 2.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.488 178.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.561 HG22 ' HG2' ' B' ' 75' ' ' ARG . 90.9 t -129.41 115.21 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.609 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.444 HD11 HD13 ' B' ' 86' ' ' LEU . 96.0 mt -78.96 138.28 37.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.974 0.416 . . . . 0.0 111.284 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 54.8 m -132.61 120.03 21.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' B' ' 72' ' ' SER . 6.4 mp -111.34 154.02 43.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.285 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -80.4 12.89 2.39 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 123.03 2.487 . . . . 0.0 111.392 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.42 ' CB ' ' HE1' ' B' ' 38' ' ' TRP . 84.4 p -57.97 173.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.215 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . 0.52 HD22 HG23 ' B' ' 34' ' ' THR . 6.7 t30 -147.83 141.83 16.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.605 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -52.17 -59.16 1.19 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.506 2.137 . . . . 0.0 112.913 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 43.2 m -82.65 84.83 7.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.485 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.52 HG23 HD22 ' B' ' 31' ' ' ASN . 27.0 p -150.31 -68.72 0.19 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.965 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.98 -36.74 1.65 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.836 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.601 ' HA ' ' HG2' ' B' ' 92' ' ' ARG . 17.8 m-85 -88.31 101.17 13.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.089 0.471 . . . . 0.0 110.92 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -77.67 -147.12 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.507 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.42 ' HE1' ' CB ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -136.65 120.11 17.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.763 179.857 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -111.93 118.56 35.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.758 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.503 HD23 ' N ' ' B' ' 41' ' ' ARG . 2.0 tt -91.13 128.8 37.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.905 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.503 ' N ' HD23 ' B' ' 40' ' ' LEU . 22.4 mmm180 -96.75 -67.03 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.938 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.613 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 62.7 t30 -118.14 95.57 48.53 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.059 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.424 ' HA ' ' CD2' ' B' ' 86' ' ' LEU . 86.5 Cg_endo -77.56 5.66 5.02 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.531 2.154 . . . . 0.0 112.906 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.439 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 54.67 27.99 9.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.821 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.3 -17.22 18.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.463 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.3 t -62.54 -21.58 65.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.076 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 30.6 m -131.8 -13.07 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.502 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' B' ' 44' ' ' ALA . 80.1 mt -109.27 159.92 16.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.842 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.62 ' HE2' ' HA ' ' B' ' 49' ' ' LYS . 0.1 OUTLIER -137.24 -142.45 0.17 Allowed 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.486 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.528 ' HB3' ' HA ' ' B' ' 76' ' ' PHE . 46.7 ttt180 47.14 29.83 1.24 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.315 0.578 . . . . 0.0 110.805 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mt -84.55 -171.59 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.716 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 177.55 175.27 44.64 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.678 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -81.68 -44.48 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.951 2.434 . . . . 0.0 112.448 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -124.96 -175.02 3.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 29.3 m -122.18 11.66 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.195 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -141.33 8.56 2.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.779 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -75.26 -9.12 58.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -69.15 167.39 16.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.984 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 52.5 m -88.33 -57.36 2.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -120.46 124.01 44.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.824 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -143.73 122.21 12.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -62.29 149.34 42.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.627 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 51.6 m -63.85 -86.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.91 25.42 30.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.542 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 77.7 mt -96.46 172.32 8.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.795 0.331 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.32 -26.88 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -115.61 -156.52 11.04 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.624 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 92.2 p -75.34 -28.97 59.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.756 0.313 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 150.0 120.56 1.01 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 158.17 -139.27 6.22 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.509 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 59.67 -179.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.891 0.377 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . 0.54 ' HB3' HD13 ' B' ' 28' ' ' LEU . 46.9 t -96.46 154.04 17.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.828 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 39.7 m -155.3 83.98 1.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.238 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -86.05 110.68 19.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.267 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.561 ' HG2' HG22 ' B' ' 25' ' ' VAL . 91.3 mtt180 -108.03 137.77 45.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 111.702 -179.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.528 ' HA ' ' HB3' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -151.53 161.56 42.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.51 179.278 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.519 ' HD2' ' N ' ' B' ' 78' ' ' VAL . 3.2 tmm_? -134.4 135.63 42.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.53 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.519 ' N ' ' HD2' ' B' ' 77' ' ' ARG . 56.1 t -59.33 108.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.969 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.551 ' HB2' ' HB2' ' B' ' 49' ' ' LYS . . . -92.31 -47.89 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.404 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.47 171.82 14.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.715 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 52.4 p -69.01 -165.03 0.06 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.718 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.71 159.11 12.38 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.682 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -110.79 112.15 23.81 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.897 0.379 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.05 -168.11 1.83 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.955 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -161.98 115.61 1.84 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.762 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.466 HD22 HD11 ' B' ' 88' ' ' LEU . 5.7 mt -63.08 135.51 57.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.685 0.279 . . . . 0.0 110.718 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.613 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 23.6 mt-10 -136.45 111.65 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.002 -179.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.598 ' HB2' ' HB2' ' B' ' 104' ' ' PHE . 4.9 mp -134.34 168.49 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.45 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 13.2 m -148.88 134.17 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.982 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -87.4 85.16 7.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.407 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.749 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 16.4 ptm180 -139.62 -173.2 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.32 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.601 ' HG2' ' HA ' ' B' ' 36' ' ' PHE . 78.7 mtt180 -91.56 151.08 42.17 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.563 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 5.3 Cg_exo -74.21 -22.79 16.31 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.908 2.405 . . . . 0.0 113.502 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' TRP . . . . . 0.53 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 27.5 p90 -98.53 30.26 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.603 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -127.95 115.47 18.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 44.3 mttp -69.35 -62.07 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.123 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -137.0 96.42 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.26 130.54 15.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.452 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 37.8 mt-10 -53.28 121.81 27.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . 0.749 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 55.7 Cg_endo -94.16 -178.01 0.61 Allowed 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.325 2.683 . . . . 0.0 112.877 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.82 -69.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.687 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -99.69 -169.87 1.81 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.149 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 39.4 m -167.97 157.44 9.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.083 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.598 ' HB2' ' HB2' ' B' ' 88' ' ' LEU . 17.1 m-85 -139.0 139.99 38.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.067 0.46 . . . . 0.0 111.517 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' B' ' 86' ' ' LEU . 78.7 p -174.39 82.82 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.485 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' CYS . . . . . 0.592 ' HA ' ' HB3' ' B' ' 13' ' ' CYS . 96.6 m -114.84 145.73 41.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.089 0.471 . . . . 0.0 111.466 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.01 143.98 39.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.215 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 68.7 mt -147.44 118.83 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.649 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . 0.429 ' NE2' ' HB3' ' B' ' 15' ' ' PRO . 76.8 mt-30 -129.62 163.92 25.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.901 0.381 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.715 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 25.6 t -133.59 157.43 42.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.742 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.447 ' N ' HG12 ' B' ' 110' ' ' VAL . 21.0 tpt180 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.054 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 86.6 mtp . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -89.61 110.65 3.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.422 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 47.8 t -95.26 125.53 39.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.318 . . . . 0.0 110.964 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 80.0 p -134.13 -3.09 2.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -69.43 152.63 44.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.804 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -56.56 124.4 18.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.808 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -64.95 127.87 33.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.977 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -153.59 -174.96 5.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -83.68 145.01 29.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -72.15 -53.77 11.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 47.5 t -143.03 -55.86 0.41 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 51.6 m -132.36 153.78 50.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -161.77 -55.3 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.649 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 59.0 tp -92.75 -45.99 7.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.795 0.331 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . 0.486 HG12 ' H ' ' B' ' -4' ' ' ARG . 39.0 t -126.78 129.85 23.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.039 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.31 -33.3 97.58 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.458 2.105 . . . . 0.0 112.291 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -4' ' ' ARG . . . . . 0.486 ' H ' HG12 ' B' ' -6' ' ' VAL . 3.6 tmt_? 63.01 -82.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.817 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 175.32 162.13 26.07 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 79.5 p -142.99 -42.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.749 0.309 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -111.46 115.38 29.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 58.9 ttp -82.83 -41.94 18.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -115.99 -86.35 0.61 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.044 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 24.8 mmmt -141.44 138.71 17.79 Favored Pre-proline 0 CA--C 1.518 -0.274 0 CA-C-O 120.967 0.413 . . . . 0.0 111.746 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.445 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 59.0 Cg_exo -56.49 -20.24 32.58 Favored 'Trans proline' 0 CA--C 1.51 -0.679 0 C-N-CA 122.812 2.341 . . . . 0.0 109.944 178.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.578 HG22 ' HB2' ' B' ' 23' ' ' GLU . 42.3 t -155.06 72.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.059 -1.428 . . . . 0.0 110.122 178.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.407 ' CG2' ' HB2' ' B' ' 2' ' ' LYS . 66.9 t -55.61 105.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.663 0.268 . . . . 0.0 110.598 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 m -68.64 161.91 27.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.336 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 56.5 tp -145.76 159.02 43.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.699 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -163.15 -61.3 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -71.09 142.16 50.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.83 -17.67 24.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -73.66 -30.78 63.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.0 -1.24 47.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 84.3 m -81.8 120.45 25.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.015 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.507 ' HB3' ' HD2' ' B' ' 15' ' ' PRO . 19.5 m -155.54 161.08 30.21 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.426 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' B' ' 14' ' ' SER . 28.5 Cg_endo -63.18 78.06 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.278 1.986 . . . . 0.0 111.645 179.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.465 HD12 ' H ' ' B' ' 17' ' ' LYS . 47.1 tp -97.46 142.06 29.77 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.43 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.465 ' H ' HD12 ' B' ' 16' ' ' LEU . 14.1 mptt -74.24 141.0 45.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.13 0.49 . . . . 0.0 110.925 179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.519 ' H ' ' HA ' ' B' ' 110' ' ' VAL . 3.9 mp -126.97 -163.72 1.28 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.789 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.2 t -161.09 141.87 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.456 ' CD ' ' H ' ' B' ' 20' ' ' GLN . 22.1 mp0 -58.25 119.06 6.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.507 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.487 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 134.28 6.4 2.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.01 -179.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.449 ' NE2' ' HG ' ' B' ' 18' ' ' LEU . 9.7 mt-30 -124.37 160.33 28.37 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.578 ' HB2' HG22 ' B' ' 4' ' ' VAL . 44.4 mt-10 -135.92 -164.54 1.56 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.228 0.537 . . . . 0.0 112.134 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' B' ' 75' ' ' ARG . 5.2 tp -157.81 147.36 19.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.911 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 15.9 t -148.56 107.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.567 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -109.28 143.06 39.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.829 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 59.3 m -138.31 117.37 12.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.402 ' HB3' ' HD2' ' B' ' 29' ' ' PRO . 81.1 mt -120.67 157.6 53.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' B' ' 28' ' ' LEU . 74.3 Cg_endo -76.27 130.18 11.81 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.476 2.118 . . . . 0.0 112.225 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.406 ' HB3' ' HE1' ' B' ' 38' ' ' TRP . 82.4 p -165.87 124.75 1.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -77.21 119.61 78.19 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.723 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.28 164.34 36.07 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.563 2.175 . . . . 0.0 112.461 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . 0.564 ' H ' HH12 ' B' ' 37' ' ' ARG . 69.2 p 49.81 26.01 1.76 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.502 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 90.3 m -97.77 -64.06 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.04 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.46 -47.11 0.32 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.618 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -92.66 104.54 16.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.954 0.406 . . . . 0.0 111.241 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.564 HH12 ' H ' ' B' ' 33' ' ' THR . 0.3 OUTLIER -103.61 -155.22 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.323 179.514 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.406 ' HE1' ' HB3' ' B' ' 30' ' ' SER . 93.3 m95 -128.89 115.68 18.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.67 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -97.0 147.91 23.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.529 HD23 ' HG ' ' B' ' 88' ' ' LEU . 85.1 mt -100.72 100.99 11.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.18 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -75.56 -13.44 60.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.974 0.416 . . . . 0.0 110.099 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.442 ' HB2' ' HB2' ' B' ' 87' ' ' GLU . 6.1 t30 -167.7 89.89 0.7 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.626 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.44 6.43 3.15 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.372 2.048 . . . . 0.0 112.523 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 56.3 26.27 10.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.65 -6.91 3.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.262 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 57.5 m -69.3 -34.6 74.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.054 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.469 HG23 ' HG ' ' B' ' 48' ' ' LEU . 31.4 m -127.63 -39.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.488 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.576 HD22 HG22 ' B' ' 78' ' ' VAL . 13.9 mt -88.63 125.71 34.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.746 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.466 ' NZ ' ' HB3' ' B' ' 49' ' ' LYS . 5.6 ttpm? -84.57 139.81 31.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -89.17 153.35 21.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.693 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.441 ' N ' HD12 ' B' ' 51' ' ' LEU . 7.8 mp -100.7 -73.19 0.65 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.98 179.72 30.06 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.726 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . 0.504 ' HG2' ' H ' ' B' ' 54' ' ' GLU . 73.5 Cg_endo -76.8 -72.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.633 2.222 . . . . 0.0 112.718 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.504 ' H ' ' HG2' ' B' ' 53' ' ' PRO . 23.4 mm-40 -132.33 -20.49 2.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.742 0.306 . . . . 0.0 111.032 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 60.6 t 62.7 106.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -154.76 -38.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m -153.45 6.46 0.35 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -67.98 -67.21 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.5 t -153.9 129.16 9.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -152.82 145.37 24.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -125.25 -58.83 1.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -132.2 117.73 18.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 52.7 m -145.31 -39.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.26 59.49 1.22 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 90.9 mt -73.33 147.31 44.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.806 0.336 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 23.3 t -84.4 -23.24 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.047 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.95 -86.78 0.15 Allowed Glycine 0 CA--C 1.517 0.177 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 91.4 p -141.33 -2.79 1.23 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 148.37 132.1 2.13 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.534 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 161.56 42.06 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.53 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -139.51 117.26 11.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 53.0 m -65.8 119.94 12.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 66.2 m -110.14 128.2 55.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -115.12 103.39 10.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.979 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' B' ' 24' ' ' LEU . 53.1 ttp180 -110.4 128.25 55.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -138.28 152.69 48.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.9 0.381 . . . . 0.0 111.406 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.487 ' NH2' ' HA2' ' B' ' 21' ' ' GLY . 7.4 tpt180 -130.44 144.24 51.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.326 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.576 HG22 HD22 ' B' ' 48' ' ' LEU . 40.1 t -87.89 115.24 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.891 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.63 -41.24 8.22 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.603 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.413 ' C ' HE21 ' B' ' 20' ' ' GLN . . . -140.39 179.91 6.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.955 0.407 . . . . 0.0 111.336 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.743 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 74.7 m -86.44 -168.11 2.12 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.822 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 112.91 169.44 17.53 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.588 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.477 ' HB3' HE22 ' B' ' 109' ' ' GLN . 3.5 p30 -94.37 149.92 20.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.764 0.316 . . . . 0.0 110.73 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -167.38 170.79 11.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.708 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -155.69 108.49 2.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.411 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.413 ' HG ' HD11 ' B' ' 88' ' ' LEU . 11.4 tp -65.19 123.99 20.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.948 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.442 ' HB2' ' HB2' ' B' ' 42' ' ' ASN . 36.0 mt-10 -117.18 125.63 51.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.529 ' HG ' HD23 ' B' ' 40' ' ' LEU . 5.3 mp -133.35 149.47 51.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.685 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.437 HG21 ' HE ' ' B' ' 91' ' ' ARG . 27.8 m -140.8 158.95 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.967 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' TYR . . . . . 0.553 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 36.8 t80 -110.03 102.91 11.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.03 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.492 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 22.6 ptt180 -166.67 178.51 5.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.815 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -61.67 134.87 93.98 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.572 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -83.45 29.36 0.55 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.859 2.373 . . . . 0.0 114.849 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' TRP . . . . . 0.42 ' CZ3' ' HG2' ' B' ' 95' ' ' GLU . 31.4 p-90 -130.53 -12.98 3.86 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.22 0.533 . . . . 0.0 109.704 178.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.42 ' HG2' ' CZ3' ' B' ' 94' ' ' TRP . 29.1 mt-10 -71.5 144.71 49.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.983 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' B' ' 96' ' ' LYS . 0.0 OUTLIER -91.51 -35.42 14.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.668 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -170.1 102.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.857 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -151.91 146.34 25.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 39.3 mt-10 -57.08 111.94 3.99 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.008 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . 0.492 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 1.9 Cg_endo -82.49 163.77 16.74 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.104 2.536 . . . . 0.0 112.195 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.82 -69.37 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.662 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.553 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 3.0 mm-40 -90.46 -164.37 1.16 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.946 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.1 p -175.96 166.63 3.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.059 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.485 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 44.2 t80 -162.72 149.66 13.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.766 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 79.3 p -167.8 141.58 3.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 93.2 m -149.45 134.19 17.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.5 147.34 27.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.231 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 80.0 mt -145.67 136.4 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . 0.477 HE22 ' HB3' ' B' ' 83' ' ' ASP . 0.0 OUTLIER -131.03 146.81 52.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.651 179.831 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.743 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 4.4 t -139.79 149.99 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.892 0.377 . . . . 0.0 111.117 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.845 179.824 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.773 0.321 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -170.06 -33.01 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.671 -0.775 . . . . 0.0 112.472 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 47.2 t -95.76 -14.35 23.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.778 0.323 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 80.7 p -79.65 -10.45 59.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -83.95 -34.33 24.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -94.54 112.27 24.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -99.31 169.0 9.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -90.98 120.02 31.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -98.19 121.89 40.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -133.15 148.19 52.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 52.4 m -131.26 163.72 27.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.9 t -137.98 -32.19 0.75 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -91.62 95.11 2.01 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.426 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 82.5 mt -130.11 -55.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 21.0 m -91.05 147.52 35.91 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.14 165.98 20.27 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.584 2.189 . . . . 0.0 112.241 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -93.89 110.64 22.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 179.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 162.69 -111.42 0.47 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.411 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 80.8 p -108.94 174.81 5.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.888 0.375 . . . . 0.0 110.927 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -153.16 -173.96 4.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.756 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . 0.535 ' HG3' ' HG2' ' B' ' 1' ' ' GLN . 23.8 ptm -128.99 -34.91 1.88 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.136 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . 0.535 ' HG2' ' HG3' ' B' ' 0' ' ' MET . 17.9 mm-40 -99.85 140.27 34.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.9 ' HB3' HE22 ' B' ' 22' ' ' GLN . 14.9 mmmt -101.34 147.02 33.2 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.644 ' HD2' ' NE2' ' B' ' 22' ' ' GLN . 61.6 Cg_endo -68.86 -5.14 14.85 Favored 'Trans proline' 0 CA--C 1.516 -0.414 0 C-N-CA 123.758 2.972 . . . . 0.0 112.616 -179.535 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.585 ' HB ' ' HA ' ' B' ' 24' ' ' LEU . 0.0 OUTLIER -114.28 -82.55 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.572 -178.854 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.65 HG13 ' HB2' ' B' ' 2' ' ' LYS . 5.2 m 44.81 -166.82 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.955 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' B' ' 25' ' ' VAL . 1.7 m -74.34 159.24 32.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.493 -179.769 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -160.17 -166.01 1.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.542 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -158.38 -38.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.247 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -73.11 123.73 24.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.907 -179.733 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.531 ' C ' ' H ' ' B' ' 12' ' ' ASP . . . -83.52 171.82 13.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.19 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 t70 64.07 -16.48 0.07 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.174 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' B' ' 10' ' ' ALA . 23.2 t70 -81.2 4.34 20.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.077 0.465 . . . . 0.0 110.215 179.645 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 74.5 m -79.71 -80.35 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.246 -179.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.587 ' O ' ' N ' ' B' ' 16' ' ' LEU . 12.5 p 65.7 162.33 0.13 Allowed Pre-proline 0 CA--C 1.522 -0.102 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.39 75.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.462 2.108 . . . . 0.0 112.466 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' B' ' 14' ' ' SER . 6.7 mt -54.72 170.56 0.16 Allowed 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.395 0.617 . . . . 0.0 111.891 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' B' ' 17' ' ' LYS . 11.5 mptt -115.64 87.7 2.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.41 179.803 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.55 HD21 HG11 ' B' ' 4' ' ' VAL . 9.8 mp -98.53 -174.6 2.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.382 -179.696 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.407 HG22 ' N ' ' B' ' 20' ' ' GLN . 13.1 m -163.05 157.31 20.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.953 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.53 HE21 ' HA ' ' B' ' 80' ' ' ALA . 94.6 mt-30 -51.15 99.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.766 179.758 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.43 20.55 1.75 Allowed Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.939 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.9 HE22 ' HB3' ' B' ' 2' ' ' LYS . 6.4 mm100 -104.77 167.23 9.86 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.671 0.272 . . . . 0.0 110.273 -179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -141.77 117.5 10.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 -179.172 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.585 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 52.3 tp -96.89 114.21 25.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.871 178.59 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.568 HG13 ' HG2' ' B' ' 75' ' ' ARG . 20.7 t -118.24 158.31 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.023 -179.412 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.434 ' N ' HG12 ' B' ' 25' ' ' VAL . 67.5 tp -166.62 147.18 6.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.838 0.352 . . . . 0.0 111.028 179.777 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 73.7 m -138.84 132.09 29.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 89.2 mt -136.65 127.97 16.73 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.458 ' HA ' ' HG2' ' B' ' 71' ' ' GLU . 24.5 Cg_exo -63.56 146.31 92.61 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.507 2.138 . . . . 0.0 112.272 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 80.6 p -149.01 122.08 8.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.74 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -60.96 112.88 6.41 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.08 137.9 82.21 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.461 2.107 . . . . 0.0 112.268 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . 0.604 ' H ' HH12 ' B' ' 37' ' ' ARG . 33.3 m 54.46 80.0 0.13 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.152 -179.831 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 67.3 m -141.3 -59.51 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.06 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.54 -51.04 0.5 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.024 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -94.24 110.39 22.13 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.301 0.572 . . . . 0.0 111.049 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.604 HH12 ' H ' ' B' ' 33' ' ' THR . 14.3 mmt180 -104.54 -154.11 0.5 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.155 179.35 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -117.92 111.7 19.35 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.822 179.298 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -102.32 133.78 46.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.159 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 tt -81.76 120.68 25.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.111 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.532 ' NE ' ' HA ' ' B' ' 41' ' ' ARG . 5.7 tpm_? -88.2 -66.85 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.043 -179.538 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.596 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 56.1 t30 -123.34 101.44 37.74 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.62 179.704 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.65 6.29 3.76 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.535 2.157 . . . . 0.0 112.993 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 51.37 26.61 3.19 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.754 0.312 . . . . 0.0 110.827 -179.637 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.31 -13.54 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.466 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 45.9 t -60.8 -27.55 68.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.451 HG23 ' HG ' ' B' ' 48' ' ' LEU . 20.4 m -130.65 -43.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.726 -179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.511 HD22 HG22 ' B' ' 78' ' ' VAL . 21.1 mt -80.15 161.43 25.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.78 0.324 . . . . 0.0 110.742 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.56 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . 77.8 tttt -118.38 142.77 47.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.804 -179.731 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -98.26 139.34 34.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.138 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.428 HD11 ' HB3' ' B' ' 77' ' ' ARG . 8.6 mp -110.16 -5.73 15.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.799 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.45 172.73 28.33 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.642 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -84.6 -172.41 1.23 Allowed 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.889 2.393 . . . . 0.0 112.677 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -164.84 -41.3 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.724 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 40.0 t -99.43 130.39 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.013 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 84.8 t80 58.74 95.51 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.2 p -167.59 4.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 63.4 t30 60.54 13.31 4.1 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 51.9 m -104.15 -21.9 13.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -80.3 143.16 33.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.92 -66.42 0.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.677 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -150.99 128.06 11.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 56.3 m -147.86 -171.29 3.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.28 50.61 4.44 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.475 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 84.6 mt -83.54 168.81 16.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.718 0.294 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 39.3 t -92.18 110.66 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.8 -79.47 1.78 Allowed Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.418 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 90.4 p -155.34 -3.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.915 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.83 151.58 5.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.436 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 158.35 -174.75 35.55 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.471 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.458 ' HG2' ' HA ' ' B' ' 29' ' ' PRO . 45.3 mt-10 59.34 -177.22 0.09 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.837 0.351 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 78.6 p -141.36 157.66 44.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 52.9 m -142.85 143.05 31.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.184 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.422 ' O ' ' HA ' ' B' ' 25' ' ' VAL . 22.5 m-90 -126.83 131.6 51.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.82 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.568 ' HG2' HG13 ' B' ' 25' ' ' VAL . 71.6 mtm180 -144.66 117.12 8.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.748 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -131.21 135.53 47.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.835 0.35 . . . . 0.0 111.334 -179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.428 ' HB3' HD11 ' B' ' 51' ' ' LEU . 6.7 tpp180 -101.15 128.45 47.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.188 179.554 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.511 HG22 HD22 ' B' ' 48' ' ' LEU . 16.3 t -67.17 134.52 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.382 -179.673 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.56 ' HB2' ' HB2' ' B' ' 49' ' ' LYS . . . -108.69 -37.04 6.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.302 -179.632 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.53 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -151.55 179.71 8.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.912 0.386 . . . . 0.0 111.335 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.752 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 5.3 p -84.22 -171.24 3.5 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.989 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 121.55 160.11 10.91 Favored Glycine 0 C--N 1.323 -0.186 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.327 -179.689 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.83 130.05 44.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.94 0.4 . . . . 0.0 111.252 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -154.33 -171.53 3.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.459 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -162.84 109.93 1.23 Allowed 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.045 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 13.0 tp -63.32 124.11 20.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.462 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.596 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 16.5 mt-10 -117.96 129.19 55.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.087 0.47 . . . . 0.0 111.386 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.3 mp -137.41 145.65 43.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.146 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 5.7 m -139.88 149.15 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.023 0.439 . . . . 0.0 111.475 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 90' ' ' TYR . . . . . 0.538 ' HB3' ' HB2' ' B' ' 102' ' ' GLU . 60.5 t80 -94.49 94.01 7.97 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.8 -179.619 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.645 ' HB3' ' HB3' ' B' ' 100' ' ' PRO . 17.6 ptp180 -146.53 -173.75 4.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.504 ' HD3' ' CZ2' ' B' ' 94' ' ' TRP . 99.1 mtt180 -84.42 122.48 75.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.372 179.713 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.54 -46.81 27.4 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.805 2.337 . . . . 0.0 113.316 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 94' ' ' TRP . . . . . 0.504 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 7.2 p90 -59.33 -18.82 41.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.642 -179.313 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -82.74 138.1 34.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.743 0.306 . . . . 0.0 110.884 179.647 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -77.62 -59.57 2.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -145.75 101.88 3.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.16 -179.31 5.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 179.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -89.0 110.12 35.66 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.992 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . 0.645 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 73.4 Cg_endo -75.76 162.22 35.48 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.595 2.197 . . . . 0.0 112.471 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.02 -48.2 10.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.192 0.52 . . . . 0.0 110.302 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.538 ' HB2' ' HB3' ' B' ' 90' ' ' TYR . 5.1 mm-40 -109.42 -162.1 0.79 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.884 179.421 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.4 p -176.61 159.46 1.87 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.208 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -154.18 143.02 21.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.654 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 56.1 m -157.89 140.32 14.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.162 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 67.6 m -149.78 127.14 11.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.048 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.66 142.83 33.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.558 179.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . 0.49 HD13 HD11 ' B' ' 48' ' ' LEU . 40.8 mt -135.54 112.52 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.967 0.413 . . . . 0.0 111.765 -179.596 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -110.19 107.55 17.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.642 179.223 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.752 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 10.8 t -98.88 154.81 3.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.985 0.421 . . . . 0.0 111.405 -179.691 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.624 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 27.9 tpt180 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.791 179.611 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.836 0.351 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -106.14 -174.76 23.53 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.549 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 80.1 p -86.56 178.44 7.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 52.4 m -138.09 165.6 26.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -149.12 -18.7 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.709 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -58.49 155.19 12.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -117.04 118.03 31.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -137.89 -178.39 5.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.79 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -131.38 122.63 26.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -90.57 122.08 33.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 47.8 t -167.01 -23.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 36.2 t -147.46 16.42 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -67.69 85.6 0.15 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.607 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 58.5 tp -169.14 -29.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.908 0.385 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . 0.533 ' HB ' ' HD3' ' B' ' -5' ' ' PRO . 36.0 t -65.39 -47.98 68.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.586 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' -5' ' ' PRO . . . . . 0.533 ' HD3' ' HB ' ' B' ' -6' ' ' VAL . 42.9 Cg_exo -56.3 -24.49 51.57 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.175 1.917 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -93.83 121.26 35.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . -149.85 161.26 28.81 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.388 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 52.4 m -150.72 179.91 7.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.742 0.305 . . . . 0.0 110.986 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 58.72 -174.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 66.6 mtm -68.64 162.72 25.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . 0.555 ' HG3' ' HG2' ' B' ' 2' ' ' LYS . 21.1 tp60 -116.62 -73.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.824 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.62 ' HG3' ' HB ' ' B' ' 5' ' ' VAL . 26.0 mmmt -136.44 136.79 22.71 Favored Pre-proline 0 CA--C 1.516 -0.351 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.509 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 42.5 Cg_exo -59.06 -36.46 96.34 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.125 1.884 . . . . 0.0 109.806 178.418 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.449 HG22 ' HB2' ' B' ' 23' ' ' GLU . 41.9 t -166.74 77.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 113.833 -1.531 . . . . 0.0 109.999 179.641 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.62 ' HB ' ' HG3' ' B' ' 2' ' ' LYS . 1.7 p -63.5 103.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.91 0.386 . . . . 0.0 110.525 179.753 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -75.78 162.64 28.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.435 -179.209 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 84.6 mt -140.19 160.11 40.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.051 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -148.88 6.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.636 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -164.92 146.69 7.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.826 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.415 ' HA ' ' SG ' ' B' ' 13' ' ' CYS . . . -71.59 -19.11 62.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.4 -179.695 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -63.78 -42.72 97.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.044 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -105.56 28.36 7.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.021 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.415 ' SG ' ' HA ' ' B' ' 10' ' ' ALA . 0.6 OUTLIER -46.58 -84.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.226 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' B' ' 107' ' ' ALA . 66.8 m -159.08 146.08 12.89 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.525 179.744 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -79.36 33.27 0.49 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.614 2.21 . . . . 0.0 113.238 -179.363 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' B' ' 109' ' ' GLN . 36.5 tp 60.45 -110.41 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.65 179.655 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.622 ' HA ' ' O ' ' B' ' 109' ' ' GLN . 80.3 mttt -30.97 103.03 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.634 179.252 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mp -126.92 -160.53 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.874 -179.648 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.473 ' HA ' HG13 ' B' ' 110' ' ' VAL . 23.4 m -157.35 147.47 20.77 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.113 0.482 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -59.16 158.16 9.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.431 ' HA2' ' NH2' ' B' ' 77' ' ' ARG . . . 106.97 6.46 34.45 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.961 179.751 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -127.95 152.47 47.85 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.894 0.378 . . . . 0.0 110.539 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.601 ' HG2' ' HD3' ' B' ' 77' ' ' ARG . 32.7 mt-10 -118.78 -171.23 2.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.442 -179.789 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.414 HD12 ' O ' ' B' ' 5' ' ' VAL . 7.9 tp -161.14 143.22 12.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.318 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.513 HG22 ' HG2' ' B' ' 75' ' ' ARG . 64.9 t -146.99 91.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.103 178.837 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.9 mt -63.85 158.21 22.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.313 -179.431 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 63.2 m -145.64 103.19 3.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.967 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 79.3 mt -130.02 142.64 46.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -80.93 121.0 3.92 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.566 2.177 . . . . 0.0 112.431 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 80.4 p -165.42 125.44 1.82 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . 0.486 ' HB2' HG23 ' B' ' 34' ' ' THR . 78.8 m-20 -93.72 137.09 23.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.777 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -78.72 16.0 1.36 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.694 2.263 . . . . 0.0 112.71 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 78.2 p -123.22 11.74 9.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.208 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.486 HG23 ' HB2' ' B' ' 31' ' ' ASN . 71.9 p -99.36 -59.86 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.242 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.89 -45.23 0.89 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.007 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -87.54 102.84 14.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.038 0.447 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.615 ' HB2' ' HG3' ' B' ' 93' ' ' PRO . 14.6 mmm180 -102.91 -156.59 0.57 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.793 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . 0.49 ' H ' ' HB3' ' B' ' 37' ' ' ARG . 95.4 m95 -122.79 115.47 22.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.662 179.855 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -90.95 149.81 21.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.47 -179.411 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' B' ' 43' ' ' PRO . 68.6 tp -104.62 116.22 31.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.561 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -94.99 -60.55 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.385 -179.698 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.597 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 63.7 t30 -133.18 90.84 29.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.075 -179.716 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.598 ' HB3' HD21 ' B' ' 40' ' ' LEU . 58.1 Cg_endo -71.17 -0.48 8.1 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.618 2.212 . . . . 0.0 112.667 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.402 ' HB3' HD12 ' B' ' 48' ' ' LEU . . . 55.97 23.95 7.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.931 0.396 . . . . 0.0 110.449 -179.327 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.62 -15.81 5.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.415 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 55.0 m -59.41 -27.44 66.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.992 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.401 ' HA ' ' HB3' ' B' ' 80' ' ' ALA . 27.6 m -130.39 -11.25 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.468 -179.82 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.595 HD22 HG22 ' B' ' 78' ' ' VAL . 15.6 mt -113.35 112.34 23.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.868 0.366 . . . . 0.0 110.766 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -74.64 138.86 43.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.085 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -89.32 134.89 33.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.598 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.546 HD12 ' HB3' ' B' ' 75' ' ' ARG . 68.3 mt -62.17 -32.08 72.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 160.16 169.67 23.76 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.707 179.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -86.58 -177.15 2.24 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 123.005 2.47 . . . . 0.0 112.643 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 59.3 102.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 35.5 m -105.61 11.02 8.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -110.0 150.51 28.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 54.8 m -149.04 179.25 8.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -78.48 176.45 9.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.5 t -90.7 123.62 34.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -124.72 178.66 5.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.69 -35.45 39.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -151.1 112.17 4.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 53.1 m -149.68 -8.12 0.32 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.98 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.57 32.11 4.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.456 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.0 mt -73.84 121.07 20.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.765 0.317 . . . . 0.0 110.828 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 8.5 p -92.92 -24.66 5.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -111.1 -124.73 4.62 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.538 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 72.9 p -156.41 -0.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.351 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.49 -111.61 0.88 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.406 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.52 84.92 0.43 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.542 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -81.37 147.07 30.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 47.6 t -76.4 134.6 39.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.981 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 60.7 m -143.14 115.95 8.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.953 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -112.29 112.84 24.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.061 -179.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.546 ' HB3' HD12 ' B' ' 51' ' ' LEU . 72.4 mtm180 -105.2 133.55 49.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -144.93 155.02 43.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.909 0.385 . . . . 0.0 111.297 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.601 ' HD3' ' HG2' ' B' ' 23' ' ' GLU . 9.8 tpt180 -137.04 140.89 42.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.505 179.615 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.595 HG22 HD22 ' B' ' 48' ' ' LEU . 9.1 t -96.71 110.05 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.561 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.28 -3.87 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.76 -179.399 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.408 ' O ' HG21 ' B' ' 110' ' ' VAL . . . -130.38 150.87 51.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.107 0.479 . . . . 0.0 111.462 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.73 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 17.1 p -89.71 163.0 15.29 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.812 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 134.43 163.41 10.23 Favored Glycine 0 C--N 1.317 -0.489 0 CA-C-N 115.243 -0.89 . . . . 0.0 112.361 -179.785 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.435 ' HA ' ' HG3' ' B' ' 109' ' ' GLN . 1.9 p-10 -95.16 120.78 35.97 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.864 0.364 . . . . 0.0 110.962 179.862 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -143.27 179.13 7.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -158.22 107.67 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.636 -179.701 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.483 ' CD1' ' HA ' ' B' ' 43' ' ' PRO . 59.8 tp -55.28 148.51 14.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.603 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.597 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 28.0 mt-10 -147.21 128.05 14.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.081 0.467 . . . . 0.0 111.946 -179.003 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.523 ' HB2' ' HB3' ' B' ' 104' ' ' PHE . 5.2 mp -144.69 154.61 42.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.334 178.772 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 22.6 m -141.16 168.25 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 179.805 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 90' ' ' TYR . . . . . 0.455 ' CB ' ' HB2' ' B' ' 102' ' ' GLU . 30.7 t80 -112.85 84.87 2.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.606 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.465 ' HE ' ' HG3' ' B' ' 100' ' ' PRO . 16.2 ptp180 -144.8 169.25 18.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.757 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.606 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 82.2 mtt180 -66.5 140.15 96.44 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.132 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 93' ' ' PRO . . . . . 0.615 ' HG3' ' HB2' ' B' ' 37' ' ' ARG . 3.9 Cg_exo -79.91 20.24 0.92 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.141 2.561 . . . . 0.0 114.954 -177.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 94' ' ' TRP . . . . . 0.457 ' CZ3' ' HG2' ' B' ' 95' ' ' GLU . 34.0 p-90 -127.07 -12.13 5.84 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.12 0.486 . . . . 0.0 109.944 179.253 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.606 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 36.7 mt-10 -73.72 -45.2 53.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.027 -179.832 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 49.8 mttm 69.01 -9.88 0.55 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.483 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' B' ' 95' ' ' GLU . 16.8 t70 -176.88 94.46 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -153.65 -174.46 4.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.189 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -92.67 109.47 38.99 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.78 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . 0.465 ' HG3' ' HE ' ' B' ' 91' ' ' ARG . 4.0 Cg_endo -84.53 174.19 7.98 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.8 2.333 . . . . 0.0 112.288 -179.799 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.412 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -98.61 -37.5 9.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.79 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.455 ' HB2' ' CB ' ' B' ' 90' ' ' TYR . 23.1 mt-10 -116.07 -170.39 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.656 179.666 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 80.9 p -170.29 161.71 8.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.785 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . 0.523 ' HB3' ' HB2' ' B' ' 88' ' ' LEU . 3.2 t80 -154.12 147.62 25.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.749 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 81.3 p -169.55 117.91 0.62 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.802 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 106' ' ' CYS . . . . . 0.417 ' HB2' ' HB3' ' B' ' 86' ' ' LEU . 55.9 m -114.6 143.52 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.572 -179.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.479 ' C ' ' HA ' ' B' ' 16' ' ' LEU . . . -93.02 129.97 38.76 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.542 179.51 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 50.9 mt -149.08 107.25 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.293 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . 0.622 ' O ' ' HA ' ' B' ' 17' ' ' LYS . 29.1 tt0 -125.19 96.72 4.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.351 178.154 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.73 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 44.6 t -60.02 -95.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.471 -179.031 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.552 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 39.1 mmt180 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 25.9 ptm . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.813 0.34 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . 101.2 123.37 5.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.481 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 52.1 m -88.17 121.59 30.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 53.2 m -91.58 -20.16 21.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -83.93 175.43 9.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -89.32 139.27 30.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -137.21 -27.24 0.98 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -77.62 -4.49 46.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -87.87 125.31 34.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -70.41 134.24 47.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.2 p -135.22 -42.02 0.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 47.6 t -159.47 126.9 4.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -91.18 158.23 25.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' -7' ' ' LEU . . . . . 0.63 ' HB2' ' HD2' ' B' ' -5' ' ' PRO . 1.0 OUTLIER -141.48 152.78 44.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 0.0 111.1 -179.847 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . 0.601 ' N ' ' CD ' ' B' ' -5' ' ' PRO . 28.1 m -103.98 -27.63 0.21 Allowed Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' -5' ' ' PRO . . . . . 0.63 ' HD2' ' HB2' ' B' ' -7' ' ' LEU . 52.8 Cg_exo -55.47 -60.13 0.61 Allowed 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 121.808 1.672 . . . . 0.0 112.444 -179.906 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -72.65 147.03 46.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.975 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 144.4 54.17 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.491 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 37.4 t -118.0 165.27 13.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 59.46 14.96 4.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.044 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 69.4 mtm -137.68 -167.9 2.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . 0.544 ' HA ' ' HA ' ' B' ' 22' ' ' GLN . 11.2 pt20 -57.79 159.8 5.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.992 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.592 ' C ' ' H ' ' B' ' 4' ' ' VAL . 14.0 mtpp -122.94 163.79 31.12 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.034 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.472 ' HD2' ' HE3' ' B' ' 2' ' ' LYS . 73.2 Cg_endo -70.32 15.92 0.26 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.818 2.345 . . . . 0.0 110.614 178.869 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.821 HG21 HG23 ' B' ' 25' ' ' VAL . 7.1 p 44.06 94.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 114.3 -1.318 . . . . 0.0 112.043 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.3 p -79.02 107.6 11.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.815 -179.827 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.426 HG23 ' O ' ' B' ' 25' ' ' VAL . 1.7 m -72.6 162.48 29.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.501 -179.427 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 42.1 mt -122.65 -171.59 2.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.949 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -167.65 -28.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -119.61 161.59 20.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.757 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.83 -34.06 11.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.564 -179.723 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.71 -18.95 65.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.064 -179.818 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -84.79 -8.24 58.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.006 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 52.8 m -87.34 155.55 20.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.319 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 30.4 m -164.63 158.85 15.33 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.425 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -60.09 79.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.374 2.049 . . . . 0.0 111.797 179.367 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.411 HD12 ' H ' ' B' ' 17' ' ' LYS . 60.4 tp -98.69 150.95 21.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.465 -179.306 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.411 ' H ' HD12 ' B' ' 16' ' ' LEU . 14.3 mptt -93.84 142.82 26.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.842 179.346 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.666 ' HB2' HG22 ' B' ' 110' ' ' VAL . 11.0 mp -118.33 -168.02 1.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.843 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 51.2 m -142.02 133.76 27.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.581 HE21 ' HA ' ' B' ' 80' ' ' ALA . 76.6 mt-30 -56.03 109.36 0.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.681 179.871 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.45 -33.13 1.7 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.679 -179.828 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.544 ' HA ' ' HA ' ' B' ' 1' ' ' GLN . 2.2 pt20 -86.47 -169.5 2.67 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.619 0.247 . . . . 0.0 110.479 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.544 ' HB3' ' HD3' ' B' ' 77' ' ' ARG . 10.5 pt-20 -156.52 -176.28 5.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.134 0.492 . . . . 0.0 111.589 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.741 ' HA ' HG23 ' B' ' 4' ' ' VAL . 35.1 tp -147.97 149.86 32.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.631 179.469 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.821 HG23 HG21 ' B' ' 4' ' ' VAL . 73.6 t -134.91 148.08 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.729 179.655 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 90.5 mt -128.21 137.73 52.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.071 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.6 m -139.7 122.28 16.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.3 mt -137.67 148.15 60.0 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.08 131.79 43.49 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.553 2.169 . . . . 0.0 112.429 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 81.6 p -168.56 114.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.794 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -98.95 142.93 25.45 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -78.01 1.62 8.74 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.639 2.226 . . . . 0.0 112.48 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 78.6 p -100.4 4.03 43.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.273 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 73.0 p -102.09 -64.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.209 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.29 -35.79 2.44 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.066 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -76.03 97.97 4.18 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.929 0.395 . . . . 0.0 111.078 179.757 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -92.0 -153.74 0.35 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.177 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -126.08 107.13 10.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.332 . . . . 0.0 111.062 179.797 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -83.56 124.76 31.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.694 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.08 123.23 21.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 -179.728 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -102.36 -40.59 6.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.666 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.586 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 8.4 t30 -154.5 92.34 2.96 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.777 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.82 9.17 2.78 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.547 2.165 . . . . 0.0 112.654 -179.72 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.23 25.22 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.99 -11.17 5.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 -179.881 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 53.4 m -64.58 -32.21 73.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.492 HG23 ' HG ' ' B' ' 48' ' ' LEU . 28.3 m -123.28 -45.84 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.497 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.501 HD22 HG22 ' B' ' 78' ' ' VAL . 14.0 mt -81.84 144.73 30.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 110.182 179.846 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.582 ' HZ3' ' HB3' ' B' ' 77' ' ' ARG . 5.6 ttpm? -86.64 127.74 34.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.844 -179.706 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -84.27 146.79 27.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.293 -179.7 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.426 ' N ' HD12 ' B' ' 51' ' ' LEU . 7.9 mp -107.21 -178.91 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.652 179.825 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.59 175.88 33.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.569 -179.846 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -81.47 118.7 3.26 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.845 2.363 . . . . 0.0 112.537 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -141.37 4.68 1.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.996 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.459 HG22 ' O ' ' B' ' 55' ' ' VAL . 8.8 p -89.37 5.22 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.153 0.502 . . . . 0.0 110.794 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -125.23 123.92 40.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -141.42 -76.2 0.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 179.845 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -169.85 -65.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 44.1 t -135.31 170.99 15.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.983 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -76.94 176.72 8.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.963 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -135.75 -26.0 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -133.22 -44.44 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 80.7 p -162.89 -56.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.16 26.08 68.88 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.588 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 92.2 mt -95.15 17.69 13.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.369 0.604 . . . . 0.0 110.751 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 46.3 t -139.05 -29.04 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.88 -158.4 28.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.457 -179.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 41.7 m 58.46 17.76 5.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.771 0.319 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 165.16 42.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.403 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 155.53 159.74 9.52 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.358 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 58.51 -175.83 0.08 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.834 0.349 . . . . 0.0 111.085 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 47.7 t -94.68 114.65 26.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.784 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 71.6 m -129.5 109.57 11.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.83 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -101.62 144.53 30.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -136.11 130.25 33.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.2 -179.818 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -137.63 120.21 16.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.609 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.582 ' HB3' ' HZ3' ' B' ' 49' ' ' LYS . 10.2 tpp180 -94.99 124.08 38.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.501 HG22 HD22 ' B' ' 48' ' ' LEU . 21.4 t -61.7 127.68 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.768 179.841 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -119.98 -36.69 3.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.804 -179.412 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.581 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -141.32 174.3 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.949 0.404 . . . . 0.0 111.496 -179.86 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.677 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 8.6 p -84.35 -169.77 2.77 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.176 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.95 157.65 11.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.543 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -88.5 152.49 21.84 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.646 0.26 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.436 ' OD2' ' HB ' ' B' ' 108' ' ' ILE . 10.0 p-10 -167.43 -175.72 2.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -166.13 106.05 0.68 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.742 -179.827 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.517 ' HG ' HD12 ' B' ' 108' ' ' ILE . 13.2 mt -59.53 137.94 57.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.034 0.445 . . . . 0.0 111.043 -179.696 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.586 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 12.2 mt-10 -137.91 113.44 9.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.78 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.419 ' N ' HD12 ' B' ' 88' ' ' LEU . 5.2 mp -128.05 117.1 21.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.898 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.493 HG11 ' NH2' ' B' ' 91' ' ' ARG . 10.0 p -104.73 160.12 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.859 179.74 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 90' ' ' TYR . . . . . 0.547 ' HB2' ' HB2' ' B' ' 102' ' ' GLU . 0.3 OUTLIER -74.08 -88.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.248 179.867 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.493 ' NH2' HG11 ' B' ' 89' ' ' VAL . 7.3 mtm180 48.48 -165.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.956 0.408 . . . . 0.0 111.602 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.417 ' HB2' ' HG2' ' B' ' 95' ' ' GLU . 73.0 mtt180 -124.98 151.3 68.64 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.427 179.651 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.5 -15.45 49.7 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.722 2.281 . . . . 0.0 113.291 -179.403 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 94' ' ' TRP . . . . . . . . . . . . . 38.8 p90 -111.42 24.31 12.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.757 0.313 . . . . 0.0 111.597 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.417 ' HG2' ' HB2' ' B' ' 92' ' ' ARG . 11.7 mm-40 -123.14 106.53 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.078 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -84.75 102.56 13.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.687 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 56.42 82.75 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.041 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.83 172.13 13.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' B' ' 100' ' ' PRO . 41.2 mt-10 -57.94 109.64 1.94 Allowed Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . 0.45 ' HA ' ' HG3' ' B' ' 91' ' ' ARG . 5.1 Cg_exo -80.46 160.96 22.53 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.083 2.522 . . . . 0.0 112.552 -179.677 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.51 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -99.84 -69.28 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.701 179.598 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.547 ' HB2' ' HB2' ' B' ' 90' ' ' TYR . 19.7 mt-10 -97.26 -174.7 3.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.789 179.492 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 42.9 t -167.15 174.68 8.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -172.57 122.55 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.777 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 87.6 p -132.06 118.58 19.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.624 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 29.6 t -123.71 129.29 50.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.187 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -79.0 139.54 38.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.699 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . 0.517 HD12 ' HG ' ' B' ' 86' ' ' LEU . 65.6 mt -146.7 135.24 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.267 -179.367 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -141.59 149.95 41.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.312 179.264 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.677 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 11.6 t -137.14 153.47 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.908 0.385 . . . . 0.0 111.263 -179.779 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.602 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 19.2 tpt180 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.786 179.466 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 58.9 ttp . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.786 0.327 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -173.6 -27.16 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 47.3 t -92.16 -24.19 19.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.736 0.303 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 80.4 p -144.04 140.85 29.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 44.4 t60 -145.61 115.54 7.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.756 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -125.01 170.85 10.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -72.16 135.67 46.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -65.05 -63.75 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.047 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 49.8 t60 -149.16 109.48 4.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.781 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -164.38 129.32 2.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 54.4 m 58.79 -172.68 0.1 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 81.2 p -144.28 -178.89 6.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . -142.5 78.82 0.27 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.447 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 56.2 tp -159.64 142.53 13.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 17.3 m -123.93 140.69 35.15 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.12 -36.42 47.72 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.644 2.229 . . . . 0.0 112.244 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -125.89 140.65 52.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 140.4 -54.21 0.66 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.358 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 80.0 p -138.05 128.17 25.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.748 0.309 . . . . 0.0 110.983 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -124.41 114.09 19.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.033 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 16.1 tpt -155.13 114.77 3.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.751 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -128.43 -171.05 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.59 ' C ' ' H ' ' B' ' 4' ' ' VAL . 3.6 mtpt -121.59 155.42 59.64 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.534 ' HD2' ' HE2' ' B' ' 2' ' ' LYS . 32.7 Cg_exo -64.36 7.32 0.24 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 123.246 2.63 . . . . 0.0 110.888 178.378 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.645 ' HB ' ' HG3' ' B' ' 23' ' ' GLU . 2.4 p 44.44 100.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 114.439 -1.255 . . . . 0.0 112.088 179.627 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 39.7 t -82.91 138.83 18.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.129 -179.783 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.41 HG22 ' N ' ' B' ' 7' ' ' LEU . 3.1 m -80.09 163.76 23.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.002 -179.895 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.486 HD12 HD21 ' B' ' 24' ' ' LEU . 11.7 mt -134.52 -176.59 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.166 0.508 . . . . 0.0 111.311 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -169.65 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.289 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -148.59 157.44 43.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.352 179.509 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.6 98.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.196 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -142.92 -63.83 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.005 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.22 -69.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 -179.745 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.48 ' HB2' ' HB3' ' B' ' 106' ' ' CYS . 0.8 OUTLIER -75.16 123.59 25.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.063 -179.93 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.688 ' H ' ' HD2' ' B' ' 15' ' ' PRO . 7.4 p 179.48 -41.23 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.855 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . 0.688 ' HD2' ' H ' ' B' ' 14' ' ' SER . 88.1 Cg_endo -82.03 17.24 1.58 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.047 1.831 . . . . 0.0 113.164 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.72 ' HG ' ' HB1' ' B' ' 107' ' ' ALA . 3.8 mp 60.44 -83.4 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.366 0.603 . . . . 0.0 111.275 179.642 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' B' ' 16' ' ' LEU . 52.8 mtpt -25.83 118.15 0.07 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.103 -1.408 . . . . 0.0 112.102 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 tp -149.07 -159.62 1.06 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.298 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -155.74 153.36 29.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.432 ' HG3' HG11 ' B' ' 110' ' ' VAL . 97.9 mt-30 -62.12 166.88 4.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.25 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.39 -22.69 5.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.423 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.471 ' O ' HG23 ' B' ' 78' ' ' VAL . 0.0 OUTLIER -71.24 112.19 7.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.87 0.367 . . . . 0.0 111.395 -179.8 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.645 ' HG3' ' HB ' ' B' ' 4' ' ' VAL . 0.2 OUTLIER -101.66 159.52 15.24 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.793 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.524 ' HA ' HG23 ' B' ' 4' ' ' VAL . 5.0 tt -153.75 138.96 17.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.156 0.503 . . . . 0.0 111.803 -179.23 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' B' ' 74' ' ' TRP . 61.5 t -117.0 119.66 62.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.383 179.307 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.653 ' HB2' ' HB2' ' B' ' 74' ' ' TRP . 65.1 mt -97.88 170.21 9.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.149 0.5 . . . . 0.0 111.699 -179.151 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.407 ' C ' ' HG ' ' B' ' 28' ' ' LEU . 86.2 m -135.54 94.45 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.219 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.823 ' H ' ' HD2' ' B' ' 29' ' ' PRO . 6.3 mt -146.33 -53.18 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.823 ' HD2' ' H ' ' B' ' 28' ' ' LEU . 27.4 Cg_exo -30.83 137.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 123.201 2.601 . . . . 0.0 113.505 -179.257 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.51 ' HA ' ' HA2' ' B' ' 70' ' ' GLY . 13.7 t -145.56 122.01 11.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.855 -179.541 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . 0.469 ' H ' ' HA2' ' B' ' 70' ' ' GLY . 0.6 OUTLIER -136.63 50.93 4.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.398 179.686 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' B' ' 31' ' ' ASN . 92.3 Cg_endo -81.7 105.95 1.6 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.557 2.171 . . . . 0.0 111.602 179.392 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 4.8 m 63.32 9.15 3.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.171 0.51 . . . . 0.0 110.035 -178.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.408 HG22 ' NH1' ' B' ' 37' ' ' ARG . 58.1 p 57.19 163.48 0.03 OUTLIER 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.023 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.87 -28.72 4.58 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.698 -179.475 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -140.78 118.86 11.93 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.846 0.355 . . . . 0.0 110.372 179.587 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.408 ' NH1' HG22 ' B' ' 34' ' ' THR . 2.1 mmm180 -125.29 -164.28 1.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.061 -179.573 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -121.38 153.96 37.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.36 179.204 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -127.47 138.45 52.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.868 0.366 . . . . 0.0 111.128 -179.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' B' ' 43' ' ' PRO . 91.4 mt -94.9 104.73 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.784 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.532 ' HB2' ' HB3' ' B' ' 87' ' ' GLU . 31.2 mmm180 -76.39 -18.41 58.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.58 179.788 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.463 ' O ' ' HA ' ' B' ' 86' ' ' LEU . 4.5 t30 -175.19 86.88 0.31 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.57 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.482 ' HB3' HD13 ' B' ' 40' ' ' LEU . 67.3 Cg_endo -73.41 4.49 3.87 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.578 2.186 . . . . 0.0 112.711 -179.726 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . 55.89 22.46 5.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.923 -179.715 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.77 -11.18 2.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 -179.787 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -62.23 -31.5 72.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.041 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.406 HG11 ' HA3' ' B' ' 82' ' ' GLY . 35.8 m -127.69 -9.17 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.682 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.682 HD22 HG22 ' B' ' 78' ' ' VAL . 13.8 mt -112.63 148.63 34.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -103.33 143.27 32.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 -179.788 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.519 HH21 ' HA ' ' B' ' 53' ' ' PRO . 14.8 ptm180 -92.76 150.86 20.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.639 179.708 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' B' ' 77' ' ' ARG . 3.8 mm? -93.52 -1.92 54.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.237 -179.545 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 141.55 159.12 7.8 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.834 179.679 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . 0.519 ' HA ' HH21 ' B' ' 50' ' ' ARG . 37.4 Cg_exo -61.55 -67.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.778 2.319 . . . . 0.0 112.439 179.841 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.11 166.73 16.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 18.9 m -142.34 16.78 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.282 -179.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -58.82 131.13 50.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.418 ' HB3' ' HG3' ' B' ' 60' ' ' GLU . 55.3 m -65.84 172.45 3.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.015 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -122.65 -53.07 1.89 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 79.5 p -141.83 -39.94 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.418 ' HG3' ' HB3' ' B' ' 57' ' ' SER . 46.3 mt-10 58.44 -172.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.183 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -129.15 -46.97 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.971 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -160.13 4.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.781 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 56.1 m -66.31 -56.98 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 62.01 54.73 32.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.239 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.9 mt -92.44 20.12 6.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.21 0.529 . . . . 0.0 110.747 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 83.9 t -135.31 109.68 11.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -106.97 -146.76 13.42 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.451 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 91.2 p -83.99 -25.71 29.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.777 0.322 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.07 128.63 2.2 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.612 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.51 ' HA2' ' HA ' ' B' ' 30' ' ' SER . . . 79.28 106.71 0.23 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -83.45 -41.63 17.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.393 . . . . 0.0 111.128 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 19.3 m 53.66 84.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.342 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.607 ' H ' ' HG2' ' B' ' 29' ' ' PRO . 82.2 m -159.85 131.75 6.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.464 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.653 ' HB2' ' HB2' ' B' ' 26' ' ' LEU . 9.7 m95 -137.68 141.03 41.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.438 179.225 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -122.71 112.32 17.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.849 0.357 . . . . 0.0 111.223 -179.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -132.75 114.98 14.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.452 ' HB2' HD21 ' B' ' 51' ' ' LEU . 2.9 tmm_? -116.88 129.13 55.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.379 179.685 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.682 HG22 HD22 ' B' ' 48' ' ' LEU . 18.3 t -71.12 126.19 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.264 -179.637 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -130.74 -9.33 3.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.647 -179.747 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -139.75 154.35 47.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.936 0.398 . . . . 0.0 111.332 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.616 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 10.9 p -89.16 165.4 14.5 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . 0.406 ' HA3' HG11 ' B' ' 47' ' ' VAL . . . 134.59 170.1 12.14 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.586 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -99.28 127.33 45.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.339 . . . . 0.0 111.058 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -149.87 175.88 11.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -149.75 111.77 4.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.784 -179.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.463 ' HA ' ' O ' ' B' ' 42' ' ' ASN . 58.1 tp -63.52 152.0 39.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.963 0.411 . . . . 0.0 111.007 -179.694 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.532 ' HB3' ' HB2' ' B' ' 41' ' ' ARG . 67.5 mm-40 -151.68 134.23 15.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.337 -179.159 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 mp -146.26 145.54 30.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.057 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.447 HG23 ' HG2' ' B' ' 91' ' ' ARG . 28.2 m -144.63 150.76 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.618 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 90' ' ' TYR . . . . . 0.664 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 15.4 t80 -94.61 101.57 13.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.977 0.418 . . . . 0.0 111.299 -179.409 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.447 ' HG2' HG23 ' B' ' 89' ' ' VAL . 37.8 ptt180 -169.17 154.23 5.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.569 179.8 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.622 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 80.0 mtt180 -58.8 145.43 78.55 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.517 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 93' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 5.2 Cg_exo -76.95 -25.01 9.35 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.129 2.553 . . . . 0.0 114.014 -178.676 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 94' ' ' TRP . . . . . 0.476 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 28.5 p90 -93.83 14.99 17.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.622 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 38.6 mt-10 -92.17 131.16 37.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 179.622 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -88.89 97.03 10.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 56.4 89.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.06 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -139.09 143.85 38.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.09 115.89 33.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.47 146.85 28.01 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.511 2.141 . . . . 0.0 112.363 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . 0.462 ' HB3' ' HD1' ' B' ' 90' ' ' TYR . . . -65.7 -59.5 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.606 179.738 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.664 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 19.6 mt-10 -99.43 -175.54 3.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.727 179.549 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 38.4 t -165.32 162.83 19.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -168.59 157.82 8.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.763 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 97.2 p -168.75 151.64 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.006 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 106' ' ' CYS . . . . . 0.48 ' HB3' ' HB2' ' B' ' 13' ' ' CYS . 1.5 m -145.11 164.17 32.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.264 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.72 ' HB1' ' HG ' ' B' ' 16' ' ' LEU . . . -113.98 131.98 56.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.009 -179.567 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 31.3 mt -143.72 111.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.416 . . . . 0.0 111.577 -179.778 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -135.8 98.19 3.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.185 179.51 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.616 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 32.7 t -60.99 -93.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.476 -179.103 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.511 ' HB2' ' HB2' ' B' ' 81' ' ' SER . 40.7 mmt180 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.019 179.696 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' -20' ' ' MET . . . . . . . . . . . . . 96.2 mmm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.776 0.322 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' -19' ' ' GLY . . . . . . . . . . . . . . . -156.39 158.49 28.73 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.387 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' -18' ' ' SER . . . . . . . . . . . . . 55.9 m -94.71 129.94 41.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.712 0.291 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' -17' ' ' SER . . . . . . . . . . . . . 46.3 t -150.37 166.19 30.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.776 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' -16' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -78.43 2.56 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -64.46 97.98 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' -14' ' ' HIS . . . . . . . . . . . . . 39.1 m80 59.74 -85.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' -13' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -133.05 164.45 26.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.96 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -91.42 -56.12 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -142.75 151.27 41.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.787 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' -10' ' ' SER . . . . . . . . . . . . . 80.0 p -58.47 116.7 3.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' -9' ' ' SER . . . . . . . . . . . . . 54.0 m -80.62 179.46 7.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' -8' ' ' GLY . . . . . . . . . . . . . . . 100.79 -120.06 6.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.419 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' -7' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.86 134.69 36.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.955 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' -6' ' ' VAL . . . . . . . . . . . . . 34.4 m -129.22 146.7 61.94 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.11 -179.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' -5' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -60.25 153.65 57.82 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.634 2.223 . . . . 0.0 112.174 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' -4' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -161.41 141.03 10.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . 115.06 -108.91 2.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.473 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' -2' ' ' SER . . . . . . . . . . . . . 48.9 m -99.79 131.0 46.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' -1' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -111.91 -39.85 4.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 0' ' ' MET . . . . . . . . . . . . . 30.7 mmt -69.05 -19.53 64.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -122.68 102.25 7.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.635 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.562 ' O ' ' HB2' ' B' ' 22' ' ' GLN . 50.2 mtpt -148.77 163.52 25.46 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.217 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.503 ' HD2' ' HB3' ' B' ' 2' ' ' LYS . 19.2 Cg_endo -53.41 -5.46 0.26 Allowed 'Trans proline' 0 CA--C 1.513 -0.547 0 C-N-CA 123.347 2.698 . . . . 0.0 112.558 -178.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.517 ' O ' ' HA ' ' B' ' 24' ' ' LEU . 57.5 t -150.69 -81.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.902 178.903 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.541 HG22 ' HB2' ' B' ' 2' ' ' LYS . 40.6 t 78.5 104.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.441 -178.707 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.87 153.67 25.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.209 -179.535 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 64.1 tp -140.27 150.79 44.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.669 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -142.71 -32.18 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.004 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -89.87 178.86 6.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.88 -21.26 4.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.159 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -78.54 -16.83 57.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -86.12 10.31 14.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.983 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 36.1 m -93.65 152.32 19.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.928 0.394 . . . . 0.0 111.325 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 16.6 t -174.05 150.18 1.57 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.269 -179.823 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -55.97 86.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.187 1.924 . . . . 0.0 111.825 179.555 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.429 HD12 ' H ' ' B' ' 17' ' ' LYS . 59.2 tp -100.57 152.25 20.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.49 -179.342 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.429 ' H ' HD12 ' B' ' 16' ' ' LEU . 19.5 mttp -101.79 94.18 5.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.677 179.482 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.548 ' HB2' HG22 ' B' ' 110' ' ' VAL . 10.1 mp -67.66 -168.41 0.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 29.8 m -136.3 145.32 45.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.448 HE21 ' N ' ' B' ' 81' ' ' SER . 85.3 mt-30 -73.92 98.48 3.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.89 -19.42 0.66 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.41 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.562 ' HB2' ' O ' ' B' ' 2' ' ' LYS . 3.7 pt20 -99.32 -168.64 1.64 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.74 0.305 . . . . 0.0 110.737 179.911 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.608 ' HG2' ' HG2' ' B' ' 77' ' ' ARG . 25.2 mt-10 -145.94 -158.05 0.86 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.871 0.367 . . . . 0.0 111.217 -179.813 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.517 ' HA ' ' O ' ' B' ' 4' ' ' VAL . 8.4 tt -177.98 139.52 0.22 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.585 179.007 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.5 HG23 HG13 ' B' ' 4' ' ' VAL . 69.0 t -132.78 141.66 44.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.433 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 63.4 tp -118.43 138.73 52.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.708 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 63.7 m -136.21 113.74 10.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.304 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -144.73 150.93 48.45 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.793 179.838 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.568 ' HA ' ' HA ' ' B' ' 71' ' ' GLU . 52.1 Cg_exo -54.79 132.71 53.39 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.618 2.212 . . . . 0.0 112.028 179.885 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 51.0 p -142.63 -28.52 0.58 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.655 -179.595 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . 0.626 ' N ' ' HD3' ' B' ' 32' ' ' PRO . 85.2 m-20 -130.92 44.77 1.48 Allowed Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.69 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . 0.626 ' HD3' ' N ' ' B' ' 31' ' ' ASN . 34.5 Cg_exo -56.76 -39.0 94.49 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.02 1.813 . . . . 0.0 111.088 178.685 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 64.9 p -143.6 10.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.353 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 32.2 p 60.1 150.46 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.917 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.19 -18.89 6.48 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.12 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -143.11 115.23 8.36 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.71 0.29 . . . . 0.0 110.836 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -107.96 -167.14 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.973 0.416 . . . . 0.0 111.463 179.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -114.38 158.06 22.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.824 179.466 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -128.65 117.35 21.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.493 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' B' ' 43' ' ' PRO . 96.1 mt -75.67 96.21 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.703 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -80.08 -14.59 58.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.09 179.35 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.586 ' HB3' ' HG3' ' B' ' 87' ' ' GLU . 54.2 t-20 -171.3 81.04 0.51 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.477 ' HB3' HD13 ' B' ' 40' ' ' LEU . 61.3 Cg_endo -72.47 12.22 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.674 2.249 . . . . 0.0 112.717 -179.671 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.48 ' HA ' ' OD1' ' B' ' 84' ' ' ASP . . . 56.74 22.59 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.19 -8.59 5.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -70.83 -31.12 67.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.094 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.536 HG23 ' HG ' ' B' ' 48' ' ' LEU . 26.1 m -123.18 -44.94 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.66 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.612 HD11 HG21 ' B' ' 108' ' ' ILE . 17.3 mt -88.69 120.11 29.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.973 0.416 . . . . 0.0 110.728 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.489 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . 75.9 tttt -58.72 148.89 27.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -101.67 123.51 45.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.076 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mp -112.61 -179.17 3.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.785 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.83 161.54 38.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.52 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -58.8 172.02 1.78 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.805 2.337 . . . . 0.0 112.378 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -130.11 -40.31 1.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.437 ' O ' HG12 ' B' ' 55' ' ' VAL . 4.2 t -111.94 10.79 8.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.056 0.455 . . . . 0.0 110.875 -179.838 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 56' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -133.71 0.57 3.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.775 -179.872 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 54.4 m -61.85 168.27 3.2 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -97.82 -15.78 20.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 54.5 m -82.83 5.2 22.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -66.02 110.36 2.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -78.95 -64.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.7 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -89.61 142.73 27.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.668 179.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 51.1 m -63.68 100.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.966 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -115.73 72.29 0.26 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.174 179.699 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 27.8 mt -108.63 -143.68 0.38 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 121.157 0.503 . . . . 0.0 110.418 -179.746 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 59.9 t -114.15 -28.69 2.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 149.44 -84.17 0.17 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 71.3 p -68.37 -45.76 71.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.88 -172.54 23.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.563 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.428 ' HA3' ' HA ' ' B' ' 32' ' ' PRO . . . 82.22 58.59 2.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.568 ' HA ' ' HA ' ' B' ' 29' ' ' PRO . 47.1 mt-10 -150.03 -173.17 4.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.812 0.339 . . . . 0.0 110.79 -179.885 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 39.2 t -137.55 172.19 13.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.752 179.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 62.0 m -151.64 114.48 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.21 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . . . . . . . . . 11.6 m-90 -115.94 117.72 30.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.688 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -101.9 137.83 39.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -141.22 134.44 29.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.608 ' HG2' ' HG2' ' B' ' 23' ' ' GLU . 4.2 tmt_? -118.52 132.02 56.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.233 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.529 HG22 HD22 ' B' ' 48' ' ' LEU . 21.6 t -71.05 115.29 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.169 -179.425 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.489 ' HB2' ' HB2' ' B' ' 49' ' ' LYS . . . -105.1 -23.98 12.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.996 -179.37 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.442 ' HA ' HE21 ' B' ' 20' ' ' GLN . . . -160.63 179.33 8.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.135 0.493 . . . . 0.0 111.698 -179.753 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.686 ' HA ' ' HB ' ' B' ' 110' ' ' VAL . 5.9 p -85.19 -168.78 2.35 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.013 -179.847 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 114.71 156.2 11.32 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.562 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.431 ' HB3' HE21 ' B' ' 109' ' ' GLN . 3.4 p30 -95.15 146.67 24.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.762 0.315 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.48 ' OD1' ' HA ' ' B' ' 44' ' ' ALA . 6.0 t70 -165.6 -178.53 4.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.787 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -156.33 113.95 3.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.947 -179.782 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.587 HD22 HD11 ' B' ' 88' ' ' LEU . 3.6 mt -62.02 139.07 58.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.826 179.724 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.586 ' HG3' ' HB3' ' B' ' 42' ' ' ASN . 27.4 mt-10 -139.02 116.51 11.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.057 -179.571 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.587 HD11 HD22 ' B' ' 86' ' ' LEU . 5.3 mp -132.66 120.96 22.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.747 179.749 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 23.0 m -116.09 139.29 43.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.141 179.756 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 90' ' ' TYR . . . . . 0.54 ' HB3' ' H ' ' B' ' 102' ' ' GLU . 6.2 t80 -86.6 109.55 19.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.016 -179.469 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.458 ' NH2' ' H ' ' B' ' 98' ' ' ALA . 13.4 ptm180 -167.82 157.2 9.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 92' ' ' ARG . . . . . 0.561 ' HB2' ' HG3' ' B' ' 95' ' ' GLU . 99.4 mtt180 -64.61 125.19 88.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.521 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 93' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 92' ' ' ARG . 24.5 Cg_exo -63.87 -26.72 67.19 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.779 2.319 . . . . 0.0 113.215 -179.165 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 94' ' ' TRP . . . . . 0.43 ' CZ2' ' HD3' ' B' ' 92' ' ' ARG . 13.3 p90 -81.05 18.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.571 0.224 . . . . 0.0 111.484 -179.472 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.561 ' HG3' ' HB2' ' B' ' 92' ' ' ARG . 46.5 mt-10 -97.25 171.74 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 111.051 179.69 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.463 ' HG3' ' OD1' ' B' ' 97' ' ' ASP . 52.7 tptt -128.31 95.76 4.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 97' ' ' ASP . . . . . 0.463 ' OD1' ' HG3' ' B' ' 96' ' ' LYS . 3.0 p30 41.37 86.15 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.607 -179.479 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.458 ' H ' ' NH2' ' B' ' 91' ' ' ARG . . . -139.79 -178.3 5.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.817 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -84.04 132.42 48.24 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.085 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . 0.407 ' HB3' ' HB3' ' B' ' 91' ' ' ARG . 88.2 Cg_endo -94.77 176.31 1.04 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.215 2.61 . . . . 0.0 112.673 -179.703 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.09 -60.84 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.737 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.54 ' H ' ' HB3' ' B' ' 90' ' ' TYR . 22.4 mt-10 -99.64 -173.6 2.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 179.566 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 79.0 p -166.32 151.25 8.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.606 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 104' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -147.6 134.94 20.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.008 0.432 . . . . 0.0 111.191 -179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 77.5 p -148.69 104.89 3.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.582 179.691 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 106' ' ' CYS . . . . . . . . . . . . . 8.3 t -114.44 136.05 53.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.094 -179.565 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.51 134.32 34.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . 0.612 HG21 HD11 ' B' ' 48' ' ' LEU . 63.4 mt -144.77 124.27 6.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 -179.389 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 109' ' ' GLN . . . . . 0.431 HE21 ' HB3' ' B' ' 83' ' ' ASP . 51.0 mt-30 -135.75 153.0 51.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.519 179.464 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.686 ' HB ' ' HA ' ' B' ' 81' ' ' SER . 18.8 t -142.55 153.56 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.373 . . . . 0.0 111.169 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.601 ' HA ' ' HB2' ' B' ' 81' ' ' SER . 22.4 tpt180 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.838 179.589 . . . . . . . . 1 1 . 1 stop_ save_